data_2n7e_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2n7e _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 50.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 50.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 50.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 50.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 50.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 50.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 75.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 50.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 50.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 50.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 50.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 50.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 50.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 50.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 50.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 50.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 50.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 50.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 50.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 50.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 50.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 50.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 50.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 50.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 50.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 50.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 50.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 50.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 50.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 50.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 50.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 50.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 50.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 50.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 50.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 50.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 50.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 50.0 110.539 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 50.0 108.287 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 50.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 50.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 50.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 50.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 50.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 50.0 114.267 -174.684 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 50.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 50.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 50.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 50.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 50.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 50.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 75.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 50.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 50.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 50.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 50.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 50.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.453 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.9 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 50.0 110.953 174.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 50.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 50.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 50.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 50.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 50.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 50.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 50.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 50.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 50.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 50.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 50.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 50.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 50.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 50.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 50.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 50.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 50.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 50.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 50.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 50.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 50.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 50.0 111.483 -177.572 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 50.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 50.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 50.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 50.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 75.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 50.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 50.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 50.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 50.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 50.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 50.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 50.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 50.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 50.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 50.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 50.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . 0.426 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 50.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 50.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 50.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 50.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 50.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 50.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 50.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 50.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 50.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 50.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 50.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 50.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 50.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 50.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 50.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 50.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 50.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 50.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 50.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 50.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 50.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 50.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 50.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 50.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 50.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 50.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 50.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 50.0 110.307 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 50.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 50.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 50.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 50.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 50.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 50.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 50.0 106.836 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 75.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 50.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 50.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 50.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 50.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 50.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 50.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 50.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 50.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 50.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 50.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 50.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 50.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 50.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 50.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 50.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 50.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 50.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 50.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 50.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 50.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 50.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 50.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 50.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 50.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 50.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 50.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 50.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 50.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 50.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 50.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 50.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 50.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 50.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 50.0 108.619 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 50.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 50.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 50.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 50.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 50.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 50.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 50.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 50.0 106.326 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 75.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 50.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 50.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 50.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 50.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 50.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 50.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 50.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 50.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 50.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 50.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 50.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 50.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 50.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 50.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 50.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 50.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 50.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 50.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 50.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 50.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 50.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 50.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 50.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 50.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 50.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 50.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 50.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 50.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 50.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 50.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 50.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 50.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 50.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 50.0 109.838 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.411 ' HD1' ' CD ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 50.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 50.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 50.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 50.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 50.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 50.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 50.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 50.0 107.135 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 75.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 50.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.411 ' CD ' ' HD1' ' A' ' 100' ' ' HIS . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 50.0 108.564 -175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 50.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 161' ' ' LYS . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 50.0 110.969 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 50.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 50.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 50.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.475 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 50.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 50.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.475 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 50.0 110.902 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 50.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 50.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 50.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 50.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 50.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 50.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 50.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 50.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 50.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 50.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 50.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 50.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 50.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 50.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 50.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 50.0 113.046 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 50.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 50.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 50.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 50.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 50.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 50.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 50.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 50.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 50.0 106.708 175.713 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 50.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 50.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 50.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 50.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 50.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 50.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 75.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 50.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 50.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 50.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 50.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 50.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 50.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 50.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 50.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 50.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 50.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 50.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 50.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 50.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 50.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 50.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 50.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 50.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 50.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 50.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 50.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 50.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 50.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 50.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 50.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 50.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 50.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 50.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 50.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 50.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 50.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 50.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 50.0 110.675 178.026 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 50.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 50.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 50.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 50.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 50.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 50.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 50.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 50.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 50.0 106.898 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 75.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 50.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 50.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 50.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 50.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 50.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 50.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 50.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 50.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 50.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 50.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 50.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 50.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 50.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 50.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 50.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 50.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 50.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 50.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 50.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 50.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 50.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 50.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 50.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 50.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.402 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 50.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 50.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 50.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 50.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 50.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 50.0 111.538 179.74 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m170 . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 50.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 50.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 50.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 50.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 50.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 50.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 50.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 75.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 50.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 50.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 50.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 50.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 50.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 50.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 50.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 50.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 50.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 50.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 50.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 50.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 50.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 50.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 50.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 50.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 50.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 50.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 50.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 50.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 50.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 50.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 50.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 50.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 50.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 50.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 50.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 50.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 50.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 50.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 50.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 50.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 50.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 50.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 50.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 50.0 111.038 178.327 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 50.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 50.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 50.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 50.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 75.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 50.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 50.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 161' ' ' LYS . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 50.0 110.134 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 50.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 50.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 50.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 50.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 50.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 50.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 50.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 50.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 50.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 50.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 50.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 50.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 50.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 50.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 50.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 50.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 50.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 50.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 50.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 50.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 50.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 50.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 50.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 50.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 121' ' ' GLU . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 50.0 113.058 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 50.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 50.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 50.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 50.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 50.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 50.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 50.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 50.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 50.0 109.525 176.873 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 50.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 50.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 50.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 50.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 50.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 50.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 75.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 50.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 50.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 50.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 50.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 50.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 50.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 50.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 50.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 50.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 50.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 50.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 50.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 50.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 50.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 50.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 50.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 50.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 50.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 50.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 50.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 50.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 50.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 50.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 50.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 50.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 50.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 50.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 50.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 50.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 50.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 50.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 50.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 50.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 50.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 50.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 50.0 111.482 -178.24 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 50.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 50.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 50.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 50.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 50.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 50.0 107.019 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 75.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 50.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 50.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 50.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 50.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 50.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 50.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 50.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 50.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 50.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 50.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 50.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 50.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 50.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 50.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 50.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 50.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 50.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 50.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 50.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 50.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 50.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 50.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 50.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 50.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 50.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 50.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 50.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 50.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 50.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 50.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 50.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 50.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 50.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 50.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 50.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 50.0 109.954 178.266 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 121.337 0.589 . . . . 25.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 50.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 50.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 50.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 50.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 50.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 50.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 50.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 50.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 75.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 50.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 50.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 50.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 50.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 50.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 50.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 50.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 50.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 50.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 50.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 50.0 110.333 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 50.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 50.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 50.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 50.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 50.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 50.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 50.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 50.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 50.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 50.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 50.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 50.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 50.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 50.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 50.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 50.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 50.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 50.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 50.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 50.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 50.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 50.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 50.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 50.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 50.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 50.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 50.0 112.085 -178.286 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 50.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 50.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 50.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 50.0 109.399 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 50.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 50.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 50.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 50.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 75.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 50.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 50.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 50.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 50.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 50.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 50.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 50.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 50.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 50.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 50.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 50.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 50.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 50.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 50.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 50.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 50.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 50.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 50.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 50.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 50.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 50.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 50.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 50.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 50.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 50.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 50.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 50.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 50.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 50.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 50.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 50.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 50.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 168' ' ' ASP . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 50.0 107.054 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.434 ' HB3' ' HZ2' ' A' ' 166' ' ' LYS . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 50.0 109.171 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 50.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 50.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 50.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 50.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 50.0 105.646 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 50.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 50.0 113.054 -177.692 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 50.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 50.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 50.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 50.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 50.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 50.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 50.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 75.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 50.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 50.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 50.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 50.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 50.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 50.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 50.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 50.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 50.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 50.0 111.261 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 50.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 50.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 50.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 50.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 50.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 50.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 50.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 50.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 50.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 50.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 50.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 50.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 50.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 50.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 50.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 50.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 50.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 50.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 50.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 50.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 50.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 50.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 50.0 111.634 -176.727 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 50.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 50.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 50.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 50.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 50.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 50.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 50.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 75.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 50.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 50.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 50.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 50.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 50.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 50.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 50.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 50.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 50.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 50.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.49 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 50.0 111.241 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 50.0 112.424 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 50.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 50.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 50.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 50.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 50.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 50.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 50.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 50.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 50.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 50.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 50.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 50.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 50.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 50.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 50.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 50.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 50.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 50.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 50.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 50.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 50.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 50.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 50.0 112.551 -176.084 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 50.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 50.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 50.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 50.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 50.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 50.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 50.0 106.012 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 75.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 50.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 50.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 50.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 50.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 50.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 50.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 50.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 50.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 50.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 50.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 50.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 50.0 111.225 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 50.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 50.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 50.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 50.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 50.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 50.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 50.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 50.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 50.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 50.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 50.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 50.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 50.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 50.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 50.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 50.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 50.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 50.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 50.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 50.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 50.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 50.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 50.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 50.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 50.0 109.804 -178.533 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 50.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 50.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 50.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 50.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 50.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 50.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 50.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 75.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 50.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 50.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 50.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 50.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 50.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 50.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 50.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 50.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.8 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 50.0 110.848 175.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 50.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 50.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 50.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 50.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 50.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 50.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 50.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 50.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 50.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 50.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 50.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 50.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 50.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 50.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 50.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 50.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 50.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 50.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 50.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 50.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 50.0 108.407 176.435 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 50.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 50.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 50.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 50.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 50.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 50.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 75.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 50.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 50.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 50.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 50.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 50.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 50.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 50.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 50.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 50.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 50.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 50.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 50.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 50.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 50.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 50.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 50.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 50.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 50.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 50.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 50.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 50.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 50.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 50.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 50.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 50.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 50.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 50.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 50.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 50.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 50.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 50.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.214 -176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 50.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 50.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 50.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 50.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 50.0 111.789 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 50.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 50.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 50.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 50.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 50.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 50.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 75.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 50.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 50.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 50.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 50.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 50.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 50.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 50.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 50.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 50.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 50.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 50.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 50.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 50.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 50.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 50.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 50.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 50.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 50.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 50.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 50.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 50.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 50.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 50.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 50.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 50.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 50.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 50.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 50.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 50.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 50.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 50.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 50.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 50.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 50.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 50.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 50.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 50.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 50.0 109.081 179.838 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 . . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 50.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 50.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 50.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 50.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 50.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 50.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 50.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 50.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 75.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 50.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 50.0 110.734 -177.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 50.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 50.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 50.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 50.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 50.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 50.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 50.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 50.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 50.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 50.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 50.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 50.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 50.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 50.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 50.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 50.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 50.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 50.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 50.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 50.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 50.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 50.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 50.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 50.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 50.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 50.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 50.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 50.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 50.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 50.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 50.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 50.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 50.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 50.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 50.0 109.713 178.825 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 50.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 50.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 50.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 50.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.406 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 50.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 50.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 50.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 50.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 50.0 106.302 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 75.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 50.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 50.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 50.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 50.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 50.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 50.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 50.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 50.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 50.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 50.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 50.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 50.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 50.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 50.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.405 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 50.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 50.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 50.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 50.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 50.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 50.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 50.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 50.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 50.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 50.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 50.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 50.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 50.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 50.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 50.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 50.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 50.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 50.0 109.533 176.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 50.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 50.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 50.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 50.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 75.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 50.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 50.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 50.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 50.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 50.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 50.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 50.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 50.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 50.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 50.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 50.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 50.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 50.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 50.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 50.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 50.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 50.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 50.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 50.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 50.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 50.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 50.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 50.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 50.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 50.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 50.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 50.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 50.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 50.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 50.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 50.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 50.0 108.815 179.165 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 50.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 50.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.437 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 50.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 50.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 50.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 75.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 50.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 50.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 50.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 50.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.442 ' HB3' ' HZ1' ' A' ' 161' ' ' LYS . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 50.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 50.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 50.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 50.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 50.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 50.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 50.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 50.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 50.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 50.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 50.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 50.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 50.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 50.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 50.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 50.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 50.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 50.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 50.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 50.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 50.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 50.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.442 ' HZ1' ' HB3' ' A' ' 122' ' ' ASP . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 50.0 114.317 -178.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 50.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 50.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 50.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 50.0 107.944 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 50.0 109.552 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 50.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 50.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 50.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 50.0 107.873 178.48 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 50.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 50.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 50.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 50.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 75.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 50.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 50.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 50.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 50.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 50.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 50.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.491 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 50.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.0 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 50.0 110.717 174.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 50.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 50.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 50.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 50.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 50.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 50.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 50.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 50.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 50.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 50.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 50.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 50.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 50.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 50.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 50.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 50.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 50.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 50.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 50.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 50.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 50.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 50.0 107.696 176.988 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 50.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 50.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 50.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 50.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 50.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 50.0 106.944 178.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 75.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 50.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 50.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 50.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 50.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 50.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 50.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 50.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 50.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 50.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 50.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 50.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 50.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 50.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 50.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 50.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 50.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 50.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 50.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 50.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 50.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 50.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 50.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 50.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 50.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 50.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 50.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 50.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 50.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 50.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 50.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 50.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 50.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 50.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 50.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 50.0 110.095 178.048 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 50.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 50.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 50.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 50.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 50.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 75.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 50.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 50.0 108.936 -176.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 50.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 50.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 50.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 50.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 50.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . 0.459 HG21 HE21 ' A' ' 133' ' ' GLN . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 178.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 50.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 50.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 HG21 ' A' ' 129' ' ' ILE . 74.8 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 50.0 111.09 174.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 50.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 50.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 50.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 50.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 50.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 50.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 50.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 50.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 50.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 50.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 50.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 50.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 50.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 50.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 50.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 50.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 50.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 50.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 50.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 50.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 50.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 50.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 50.0 110.507 177.854 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 50.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 50.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.406 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 50.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 75.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 50.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 50.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 50.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 50.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' A' ' 161' ' ' LYS . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 50.0 111.741 178.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 50.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 50.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 50.0 111.369 174.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 50.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 50.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 50.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 50.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 50.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 50.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 50.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 50.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 50.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 50.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 50.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 50.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 50.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 50.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 50.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 50.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 50.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 121' ' ' GLU . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 50.0 113.138 178.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 50.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 50.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 50.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 50.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 50.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 50.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 50.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 50.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 50.0 109.465 177.612 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 . . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 50.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 50.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 50.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 50.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 50.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 50.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 50.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 75.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 50.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 50.0 110.726 -177.499 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 50.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 50.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 50.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 50.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 50.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 50.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 50.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 50.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 50.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 50.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 50.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 50.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 50.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 50.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 50.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 50.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 50.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 50.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 50.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 50.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 50.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 50.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 50.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 50.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 50.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 50.0 113.46 -171.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 50.0 109.231 -175.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 50.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 50.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 50.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 50.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 50.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 50.0 111.13 179.244 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 50.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 50.0 110.921 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 50.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 50.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 50.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 50.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 178.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 75.0 109.511 160.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 50.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 50.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 50.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 50.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 161' ' ' LYS . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 50.0 109.593 173.692 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 50.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 50.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 50.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 50.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 50.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' A' ' 130' ' ' ALA . 29.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 50.0 110.816 175.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 50.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 50.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 50.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 50.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 50.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 50.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 50.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 50.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 50.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 50.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 50.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 50.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 50.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 50.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 50.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 50.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 50.0 113.35 176.062 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 50.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 50.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 50.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 50.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 50.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 50.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 50.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 50.0 108.237 175.893 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 118' ' ' GLU . 2.4 t-160 . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 . . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 50.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 50.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 50.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 50.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 50.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 50.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 50.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 75.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 50.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 50.0 110.63 -172.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 50.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 50.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 50.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 50.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 50.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 50.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 50.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 50.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 50.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 50.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 50.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 50.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 50.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 50.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 50.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 50.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 50.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 50.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 50.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 50.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 50.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 50.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 50.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 50.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 50.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 50.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 50.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 50.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 50.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 50.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 50.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 50.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 50.0 109.02 175.199 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 50.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 50.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 50.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 50.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 50.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 50.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 50.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 75.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 50.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 50.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 50.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 50.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 50.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 50.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 50.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 50.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 50.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 50.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 50.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 50.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 50.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 50.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 50.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 50.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 50.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 50.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 50.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 50.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 50.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 50.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 50.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 50.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 50.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 50.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 50.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 50.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.46 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 50.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 50.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 50.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 50.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 50.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 50.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 50.0 111.227 176.279 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 50.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 50.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 50.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 50.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 50.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 50.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 50.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 75.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 50.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 50.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 50.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 50.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 50.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 50.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 50.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 50.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.422 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 50.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 50.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 50.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 50.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 50.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 50.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 50.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 50.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 50.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 50.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 50.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 50.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 50.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 50.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 50.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 50.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 50.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 50.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 50.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 50.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 50.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 50.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 50.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 50.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 50.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 50.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 50.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 50.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 50.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 50.0 108.101 178.968 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 50.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 50.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.693 -173.438 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 50.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 50.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 50.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 50.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 50.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 75.0 108.49 159.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 50.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 50.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 50.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 50.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 50.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 50.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 50.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 50.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 50.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 50.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 50.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 50.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 50.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 50.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 50.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 50.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 50.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 50.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.443 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 50.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 50.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 50.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 50.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 50.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 50.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 50.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 50.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 50.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 50.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 50.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 50.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 50.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 50.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.507 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.507 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 50.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 50.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 50.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 50.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 50.0 111.451 177.612 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 50.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 50.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 50.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 50.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 50.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 50.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 -178.39 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 75.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 50.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 50.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 50.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 50.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 50.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 50.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 50.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 50.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.6 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 50.0 110.944 176.383 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 50.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 50.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 50.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 50.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 50.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 50.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 50.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 50.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 50.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 50.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 50.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 159' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 50.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 50.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 50.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 50.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 50.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 50.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 50.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 50.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 50.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 50.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 50.0 114.254 -175.175 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 50.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 50.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 50.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 50.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . 0.537 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 50.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 50.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 50.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 75.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 50.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 50.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 50.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 50.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 50.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 50.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 50.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 50.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 50.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 50.0 111.069 175.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 50.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 50.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 50.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 50.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 50.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 50.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 50.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 50.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 50.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 50.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 50.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 50.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 50.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 50.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 50.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 50.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 50.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 50.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 50.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 50.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 50.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 50.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 50.0 110.785 176.969 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 50.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 50.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 50.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 50.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.41 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 50.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 50.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 50.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 50.0 107.069 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 75.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 50.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 50.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 50.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 50.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 50.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 50.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 50.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 50.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 50.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 50.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 50.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 50.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 50.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 50.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 50.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 50.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 50.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 50.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 50.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 50.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 50.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 50.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 50.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 50.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 50.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 50.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 50.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 50.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 50.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 50.0 111.389 -176.341 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 . . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 50.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 50.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 50.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 50.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 50.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 50.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 50.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 75.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 50.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 50.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 50.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 50.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 50.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 50.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 50.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 50.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 50.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 50.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 50.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 50.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 50.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 50.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 50.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 50.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 50.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 50.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 50.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 50.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 50.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 50.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 50.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 50.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 50.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 50.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 50.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 50.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 50.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 50.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 50.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 50.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 50.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 50.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 50.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 50.0 106.444 176.441 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 50.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 -178.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 50.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 50.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 50.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 50.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 75.0 108.746 159.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 50.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 50.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 50.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 50.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 50.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 50.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 50.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 50.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 50.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 50.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 50.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 50.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 50.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 50.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 50.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 50.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 50.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 50.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 50.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 50.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 50.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 50.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 50.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 50.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 50.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 50.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 50.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 50.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 50.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 50.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 50.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 50.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 50.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 50.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 50.0 110.925 -178.697 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . 0.403 ' HD1' ' CD ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 50.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 50.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 50.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 50.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 50.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 50.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 75.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 50.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.403 ' CD ' ' HD1' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 50.0 109.043 -175.863 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 50.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 50.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 50.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 50.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 50.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 50.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 50.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 50.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 50.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 50.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 50.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 50.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 50.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 50.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 50.0 109.015 -174.563 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 50.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 50.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 50.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 50.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 50.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 50.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 50.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 50.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 50.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 50.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 50.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 50.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 50.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . 0.471 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . 0.471 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 50.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 50.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 50.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 50.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 50.0 111.371 -178.843 . . . . . . . . 0 0 . 1 . 041 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 . . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 50.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 50.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 50.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 50.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 50.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 50.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 50.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 50.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 50.0 107.829 178.054 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 75.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 50.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 50.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 50.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 50.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 50.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 50.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 50.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 50.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 50.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 50.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 50.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 50.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 50.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 50.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 50.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 50.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 50.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 50.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 50.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 50.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 50.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 50.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 50.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 50.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 50.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 50.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 50.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 50.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 50.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 50.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 50.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 50.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 50.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 50.0 110.303 178.677 . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.386 0.612 . . . . 25.0 110.96 . . . . . . . . . 0 0 . 1 . 042 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 50.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 50.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 50.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 50.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 50.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 50.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 50.0 107.976 -179.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 75.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 50.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 50.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 50.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 50.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 50.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 50.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 50.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 50.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 50.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 50.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 50.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 50.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 50.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 50.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 50.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 50.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 50.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 50.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 50.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 50.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 50.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 50.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 50.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 50.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 50.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 50.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 50.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 50.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 50.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 50.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 50.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 50.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 50.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 50.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 50.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 50.0 112.164 -179.431 . . . . . . . . 0 0 . 1 . 043 nuclear orig core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 . . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 50.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 50.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 50.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 50.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 50.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 50.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 50.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 75.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 50.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 50.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 50.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 50.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 50.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 50.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 50.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 50.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 50.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 50.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 50.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 50.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 50.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 50.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 50.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 50.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 50.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 50.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 50.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 50.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 50.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 50.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 50.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 50.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 50.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 50.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 50.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 50.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 50.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 50.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 50.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear orig core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 50.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 50.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 50.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 50.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear orig core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 50.0 109.03 176.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 115.804 1.779 . . . . 25.0 115.804 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -95.22 128.07 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -126.29 151.57 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.209 -1.034 . . . . 50.0 108.209 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.6 -177.64 39.41 Favored Glycine 0 C--O 1.218 -0.86 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.83 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -77.94 -3.77 43.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.345 0.498 . . . . 50.0 112.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -113.12 132.89 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 50.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 50.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 50.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 50.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 50.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 50.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 50.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 50.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 75.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 50.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 50.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 50.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 50.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 50.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 50.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 50.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 50.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 50.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 50.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 50.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 50.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 50.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 50.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 50.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 50.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 50.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 50.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 50.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 50.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 50.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 50.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 50.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 50.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 50.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 50.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 50.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 50.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 50.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 50.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 50.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 50.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 50.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 50.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 50.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 50.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 50.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 50.0 110.539 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 50.0 108.287 -174.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 50.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 50.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 50.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 50.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 50.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 50.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -81.95 144.26 23.78 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 50.0 114.267 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -80.62 -27.17 37.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.187 -1.007 . . . . 50.0 109.96 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.9 mt -115.75 138.04 47.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 106.696 -1.594 . . . . 50.0 106.696 -174.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 m -140.17 146.18 38.44 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -85.87 -26.19 25.78 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.15 0.976 . . . . 25.0 110.983 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 124.028 1.87 . . . . 25.0 111.069 -176.58 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 123.6 1.666 . . . . 25.0 112.409 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp 62.95 64.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 112.878 -1.964 . . . . 50.0 106.803 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -67.8 161.02 27.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.254 -1.794 . . . . 50.0 111.063 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.68 -149.95 25.55 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 109.311 -1.515 . . . . 25.0 109.311 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -79.34 49.23 0.96 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.683 0.754 . . . . 50.0 110.87 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -114.2 156.47 24.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.505 -0.77 . . . . 25.0 109.315 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 50.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 50.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 50.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 50.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 50.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 50.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 50.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 50.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 50.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 75.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 50.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 50.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 50.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 50.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 50.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 50.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 50.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 50.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 50.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.453 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 50.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 50.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.453 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.9 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 50.0 110.953 174.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 50.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 50.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 50.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 50.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 50.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 50.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 50.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 50.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 50.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 50.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 50.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 50.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 50.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 50.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 50.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 50.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 50.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 50.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 50.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 50.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 50.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 50.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 50.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 50.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 50.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 50.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 50.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 50.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 50.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -94.34 139.33 14.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 50.0 111.483 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.15 155.2 32.48 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.316 -0.994 . . . . 50.0 108.316 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 83.7 mt -82.39 122.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 107.309 -1.367 . . . . 50.0 107.309 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.8 t -142.5 111.65 6.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -106.47 138.83 41.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 25.0 110.292 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.212 -0.882 0 CA-C-O 124.955 2.312 . . . . 25.0 112.471 177.715 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 124.92 2.295 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.2 mm -98.71 127.37 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 112.506 -2.134 . . . . 50.0 107.084 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -119.05 159.48 23.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 50.0 111.734 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.61 -108.29 3.29 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.188 1.235 . . . . 25.0 116.188 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -67.75 -30.91 70.5 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.215 0.821 . . . . 50.0 113.215 -171.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -119.82 144.91 47.08 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 50.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 50.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 50.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 50.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 50.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 50.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 50.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.426 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 75.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 50.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 50.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 50.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 50.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 50.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 50.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 50.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 50.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 50.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 50.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 50.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 50.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 50.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 50.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . 0.426 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 50.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 50.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 50.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 50.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 50.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 50.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 50.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 50.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 50.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 50.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 50.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 50.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 50.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 50.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 50.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 50.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 50.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 50.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 50.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 50.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 50.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 50.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 50.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 50.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 50.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 50.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 50.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 50.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 50.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 50.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -115.99 143.89 18.24 Favored Glycine 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 50.0 110.307 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -124.82 144.26 50.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.504 0.669 . . . . 50.0 111.427 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.3 mm -130.13 85.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 104.966 -2.235 . . . . 50.0 104.966 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.4 t -160.18 154.62 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.733 -0.839 . . . . 25.0 108.733 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -134.02 142.46 47.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.213 -0.819 0 CA-C-O 124.589 2.138 . . . . 25.0 112.744 -178.802 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 115.26 1.578 . . . . 25.0 115.26 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp 55.76 53.72 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 114.691 -1.141 . . . . 50.0 109.097 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -24.66 66.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.041 -0.981 . . . . 50.0 112.035 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.39 -6.16 46.33 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 121.226 -0.511 . . . . 25.0 113.584 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -82.5 -7.38 59.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 122.189 0.995 . . . . 50.0 109.154 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -136.07 162.53 32.64 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 174.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 50.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 50.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 50.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 50.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 50.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 50.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 50.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 50.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 50.0 106.836 178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 75.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 50.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 50.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 50.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 50.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 50.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 50.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 50.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 50.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 50.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 50.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 50.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 50.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 50.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 50.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 50.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 50.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 50.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 50.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 50.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 50.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 50.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 50.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 50.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 50.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 50.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 50.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 50.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 50.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 50.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 50.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 50.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 50.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 50.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 50.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 50.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 50.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 50.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 50.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 50.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 50.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 50.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 50.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 50.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 50.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.59 145.77 16.05 Favored Glycine 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 50.0 108.619 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -121.35 150.09 41.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.591 0.71 . . . . 50.0 111.294 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.0 -43.98 24.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.228 -1.397 . . . . 50.0 107.228 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.5 p -162.55 -59.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -156.91 179.94 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 103.712 -2.699 . . . . 25.0 103.712 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.209 -1.046 0 CA-C-O 124.943 2.306 . . . . 25.0 111.394 171.521 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 124.982 2.325 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.5 mm -84.16 118.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 112.979 -1.919 . . . . 50.0 107.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.53 165.67 24.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.039 -0.528 . . . . 50.0 111.551 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.62 -46.84 3.15 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 117.32 1.688 . . . . 25.0 117.32 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -104.62 24.69 11.33 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.926 0.863 . . . . 50.0 112.635 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -119.79 145.43 46.6 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 50.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 50.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 50.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 50.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 50.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 50.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 50.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 50.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 50.0 106.326 178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 75.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 50.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 50.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 50.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 50.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 50.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 50.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 50.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 50.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 50.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 50.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 50.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 50.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 50.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 50.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 50.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 50.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 50.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 50.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 50.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 50.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 50.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 50.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 50.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 50.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 50.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 50.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 50.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 50.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 50.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 50.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 50.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 50.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 50.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 50.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 50.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 50.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 50.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 50.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 50.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 50.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 50.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 50.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 50.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 50.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.37 144.98 16.09 Favored Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 50.0 109.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -129.07 161.37 30.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.415 -0.392 . . . . 50.0 110.019 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.55 116.11 23.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.319 -1.734 . . . . 50.0 106.319 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 51.1 p -73.25 143.5 47.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -136.28 143.36 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 124.236 1.97 . . . . 25.0 112.603 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.652 0.739 . . . . 25.0 112.81 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.72 163.76 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 105.968 -1.864 . . . . 50.0 105.968 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -135.15 140.74 45.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.935 -0.394 . . . . 50.0 109.935 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.47 40.8 2.33 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 119.689 -0.506 . . . . 25.0 112.162 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 52.8 37.0 22.85 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.496 0.718 . . . . 50.0 110.837 -174.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.411 ' HD1' ' CD ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -108.94 148.72 30.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -178.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 50.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 50.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 50.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 50.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 50.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 50.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 50.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 50.0 107.135 178.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 75.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 50.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.411 ' CD ' ' HD1' ' A' ' 100' ' ' HIS . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 50.0 108.564 -175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 50.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 50.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.435 ' CD ' ' HZ1' ' A' ' 161' ' ' LYS . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 50.0 110.969 176.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 50.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 50.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 50.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 50.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 50.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.475 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 50.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 50.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.475 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 50.0 110.902 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 50.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 50.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 50.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 50.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 50.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 50.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 50.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 50.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 50.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 50.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 50.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 50.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 50.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 50.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 50.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 50.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 50.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 50.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 50.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.435 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 50.0 113.046 176.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 50.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 50.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 50.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 50.0 109.011 -176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 50.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 50.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 50.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 50.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 50.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.58 149.98 20.91 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 50.0 106.708 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -126.43 164.6 20.76 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.17 0.51 . . . . 50.0 110.952 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -86.28 134.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.953 -1.129 . . . . 50.0 107.953 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.6 m -129.37 141.49 51.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -135.28 154.84 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.921 2.296 . . . . 25.0 112.131 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 124.62 2.152 . . . . 25.0 112.688 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.9 mm -122.89 113.35 37.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 105.667 -1.975 . . . . 50.0 105.667 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.04 18.41 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 50.0 110.597 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.55 83.02 1.7 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-O 121.815 0.675 . . . . 25.0 111.517 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.2 153.94 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.867 -0.784 . . . . 50.0 110.757 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 153.05 21.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 172.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 50.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 50.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 50.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 50.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 50.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 50.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 50.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 50.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 50.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 75.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 50.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 50.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 50.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 50.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 50.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 50.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 50.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 50.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 50.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 50.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 50.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 50.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 50.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 50.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 50.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 50.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 50.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 50.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 50.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 50.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 50.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 50.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 50.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 50.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 50.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 50.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 50.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 50.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 50.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 50.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 50.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 50.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 50.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 50.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 50.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 50.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 50.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 50.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 50.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 50.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 50.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 50.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.3 135.16 11.99 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 50.0 110.675 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -75.69 -36.49 60.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.741 -1.577 . . . . 50.0 106.741 173.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 79.0 mt -87.04 132.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 113.792 -1.549 . . . . 50.0 107.784 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 t -142.33 145.82 34.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 51.92 37.69 21.61 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.632 0.729 . . . . 25.0 112.501 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 124.882 1.273 . . . . 25.0 114.117 -178.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 122.732 1.254 . . . . 25.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.7 mm -29.82 116.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 112.885 -1.961 . . . . 50.0 113.971 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -97.23 175.32 6.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.007 -1.451 . . . . 50.0 107.525 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.64 58.04 0.4 Allowed Glycine 0 N--CA 1.461 0.334 0 C-N-CA 121.506 -0.378 . . . . 25.0 113.497 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -142.57 177.37 8.34 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.369 0.878 . . . . 50.0 113.369 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 154.8 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 173.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 50.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 50.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 50.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 50.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 50.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 50.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 50.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 50.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 50.0 106.898 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 75.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 50.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 50.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 50.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 50.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 50.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 50.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 50.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 50.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 50.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 50.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 50.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 50.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 50.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 50.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 50.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 50.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 50.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 50.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 50.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 50.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 50.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 50.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 50.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 50.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 50.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 50.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 50.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 50.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 50.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 50.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 50.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 50.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 50.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 50.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.402 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 50.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.402 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 50.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 50.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 50.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 50.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 50.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 50.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 50.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -82.25 136.72 15.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 50.0 111.538 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -72.98 -34.54 66.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.394 -0.903 . . . . 50.0 110.663 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.08 86.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.796 -1.093 . . . . 50.0 108.142 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 43.2 p -109.19 -37.11 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.038 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 52.9 t30 58.89 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.657 1.694 . . . . 25.0 111.518 -177.807 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 123.817 1.77 . . . . 25.0 115.55 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.83 150.51 6.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.371 -2.085 . . . . 50.0 105.371 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.84 156.88 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.625 -0.83 . . . . 50.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.82 69.45 0.02 OUTLIER Glycine 0 C--O 1.222 -0.64 0 N-CA-C 107.206 -2.358 . . . . 25.0 107.206 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -62.78 102.59 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.109 0.481 . . . . 50.0 111.813 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -132.08 156.39 46.4 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 50.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 50.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 50.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 50.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 50.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 50.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 50.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 50.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 50.0 106.943 178.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 75.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 50.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 50.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 50.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 50.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 50.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 50.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 50.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 50.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 50.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 50.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 50.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 50.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 50.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 50.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 50.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 50.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 50.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 50.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 50.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 50.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 50.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 50.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 50.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 50.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 50.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 50.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 50.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 50.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 50.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 50.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 50.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 50.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 50.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 50.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 50.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 50.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 50.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 50.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 50.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 50.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 50.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 50.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 50.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.23 144.72 17.41 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 50.0 111.038 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -127.83 156.5 42.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.333 -0.618 . . . . 50.0 109.333 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -88.18 115.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 50.0 110.351 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.2 m -78.1 144.08 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 48.81 69.45 0.57 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 126.643 3.116 . . . . 25.0 114.01 174.958 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 N--CA 1.502 2.162 0 CA-C-O 123.692 1.71 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.6 120.5 19.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 114.263 -1.335 . . . . 50.0 109.224 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.85 176.18 5.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.482 -0.781 . . . . 50.0 109.111 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -160.22 29.93 Favored Glycine 0 C--O 1.23 -0.101 0 C-N-CA 120.754 -0.736 . . . . 25.0 113.474 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 59.19 -126.23 1.29 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.233 1.013 . . . . 50.0 112.085 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -96.31 153.22 17.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 50.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 50.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 50.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 50.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 50.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 50.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 50.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 75.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 50.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 50.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 50.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.42 ' CD ' ' HZ3' ' A' ' 161' ' ' LYS . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 50.0 110.134 174.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 50.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 50.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 50.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 50.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 50.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 50.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 50.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 50.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 50.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 50.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 50.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 50.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 50.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 50.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 50.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 50.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 50.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 50.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 50.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 50.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 50.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 50.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 50.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 50.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 50.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 50.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 50.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 50.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.42 ' HZ3' ' CD ' ' A' ' 121' ' ' GLU . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 50.0 113.058 176.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 50.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 50.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 50.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 50.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 50.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 50.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 50.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 50.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 50.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 50.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 50.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -87.8 144.62 18.95 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 50.0 109.525 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -82.5 -96.81 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.734 0.778 . . . . 50.0 110.887 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.74 131.16 34.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.376 -1.713 . . . . 50.0 106.376 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 74.4 p -134.76 162.5 32.17 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -139.52 -40.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.636 0.732 . . . . 25.0 111.653 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 114.825 1.417 . . . . 25.0 114.825 -179.399 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.91 77.78 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 N-CA-C 104.012 -2.588 . . . . 50.0 104.012 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -122.73 157.95 31.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.054 -0.976 . . . . 50.0 111.105 -169.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.06 -121.98 2.11 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 108.469 -1.852 . . . . 25.0 108.469 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -65.91 -18.82 65.6 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.572 -0.37 . . . . 50.0 111.068 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 143.0 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 50.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 50.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 50.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 50.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 50.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 50.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 50.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 50.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 50.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 75.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 50.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 50.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 50.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 50.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 50.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 50.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 50.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 50.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 50.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 50.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 50.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 50.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 50.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 50.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 50.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 50.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 50.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 50.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 50.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 50.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 50.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 50.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 50.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 50.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 50.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 50.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 50.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 50.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 50.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 50.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 50.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 50.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 50.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 50.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 50.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 50.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 50.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 50.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 50.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 50.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 50.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 50.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 50.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.28 146.17 18.64 Favored Glycine 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 50.0 111.482 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -72.68 131.79 42.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.027 -1.472 . . . . 50.0 107.027 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.46 126.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.506 -0.553 . . . . 50.0 109.506 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 75.6 p -153.25 170.35 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -157.81 -57.26 0.08 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.881 0.848 . . . . 25.0 110.939 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.33 2.014 . . . . 25.0 110.966 178.151 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.4 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.688 0.756 . . . . 25.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.94 142.77 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.054 -1.832 . . . . 50.0 106.054 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.53 137.72 52.38 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 50.0 108.934 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.24 3.1 66.19 Favored Glycine 0 C--O 1.217 -0.929 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.437 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.56 8.92 22.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.508 0.558 . . . . 50.0 112.508 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 141.77 46.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 50.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 50.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 50.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 50.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 50.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 50.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 50.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 50.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 50.0 107.019 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 75.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 50.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 50.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 50.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 50.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 50.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 50.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 50.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 50.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 50.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 50.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 50.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 50.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 50.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 50.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 50.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 50.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 50.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 50.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 50.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 50.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 50.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 50.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 50.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 50.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 50.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 50.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 50.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 50.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 50.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 50.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 50.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 50.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 50.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 50.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 50.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 50.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 50.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 50.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 50.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.06 145.58 15.94 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 50.0 109.954 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -123.07 155.93 35.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.286 -0.635 . . . . 50.0 109.286 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 66.9 mt -114.85 95.18 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.972 -1.122 . . . . 50.0 107.972 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.7 m -78.79 42.79 0.47 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -96.13 136.45 36.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.582 . . . . 25.0 111.015 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.215 -0.719 0 CA-C-O 124.847 2.26 . . . . 25.0 112.317 176.775 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.5 mm -115.94 116.99 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.425 -1.695 . . . . 50.0 106.425 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -131.06 166.62 20.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.667 -1.235 . . . . 50.0 107.667 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.26 11.37 72.55 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 107.948 -2.061 . . . . 25.0 107.948 -171.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.67 153.8 42.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.204 -0.998 . . . . 50.0 111.219 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -83.63 153.05 24.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.501 -0.772 . . . . 25.0 109.848 175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 50.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 50.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 50.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 50.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 50.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 50.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 50.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 50.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 50.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 75.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 50.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 50.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 50.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 50.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 50.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 50.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 50.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 50.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 50.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 50.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 50.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 50.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 50.0 110.333 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 50.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 50.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 50.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 50.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 50.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 50.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 50.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 50.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 50.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 50.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 50.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 50.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 50.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 50.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 50.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 50.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 50.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 50.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 50.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 50.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 50.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 50.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 50.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 50.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 50.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 50.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 50.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 50.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 50.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 50.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.96 144.44 15.82 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 50.0 112.085 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -127.83 158.0 38.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.04 -0.58 . . . . 50.0 110.435 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.48 109.91 24.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.28 -1.748 . . . . 50.0 106.28 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 11.8 p -62.9 -34.15 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.492 0.663 . . . . 25.0 111.011 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -95.1 73.43 3.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.641 0.734 . . . . 25.0 109.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 124.827 2.251 . . . . 25.0 111.809 179.39 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 122.278 1.037 . . . . 25.0 113.588 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -102.94 163.48 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.457 -0.792 . . . . 50.0 110.397 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -72.34 164.45 26.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.257 -0.646 . . . . 50.0 109.257 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.406 ' C ' ' H ' ' A' ' 100' ' ' HIS . . . 173.69 -140.72 5.67 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 110.064 -1.214 . . . . 25.0 110.064 -179.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -77.01 16.68 0.52 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.691 0.745 . . . . 50.0 112.646 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -106.44 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 174.419 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 50.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 50.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 50.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 50.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 50.0 109.399 -178.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 50.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 50.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 50.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 50.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 75.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 50.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 50.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 50.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 50.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 50.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 50.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 50.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 50.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 50.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 50.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 50.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 50.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 50.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 50.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 50.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 50.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 50.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 50.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 50.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 50.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 50.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 50.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 50.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 50.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 50.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 50.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 50.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 50.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 50.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 50.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 50.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 50.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 50.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 50.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 50.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 50.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.434 ' HZ2' ' HB3' ' A' ' 168' ' ' ASP . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 50.0 107.054 179.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.434 ' HB3' ' HZ2' ' A' ' 166' ' ' LYS . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 50.0 109.171 -174.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 50.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 50.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 50.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 50.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 50.0 105.646 175.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 50.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.46 141.09 15.98 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 50.0 113.054 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -76.81 135.35 38.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.078 -0.712 . . . . 50.0 109.078 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.7 mm -80.16 132.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.168 -1.789 . . . . 50.0 106.168 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.8 m -128.3 148.19 50.65 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -140.27 128.69 22.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 125.834 2.731 . . . . 25.0 113.825 -177.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.5 p80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 125.281 2.467 . . . . 25.0 113.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 mt -84.68 137.59 20.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 113.526 -1.67 . . . . 50.0 106.597 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -129.99 79.21 1.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.587 -0.733 . . . . 50.0 112.508 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.13 33.54 85.61 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.958 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -117.43 178.64 4.31 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.381 -0.482 . . . . 50.0 110.895 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 155.33 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 50.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 50.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 50.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 50.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 50.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 50.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 50.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 50.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 50.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 75.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 50.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 50.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 50.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 50.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 50.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 50.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 50.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 50.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 50.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 50.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 50.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 50.0 111.261 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 50.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 50.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 50.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 50.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 50.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 50.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 50.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.402 ' CG ' ' HZ3' ' A' ' 176' ' ' LYS . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 50.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 50.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 50.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 50.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 50.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 50.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 50.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 50.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 50.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 50.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 50.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 50.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 50.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 50.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 50.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 50.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 50.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 50.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 50.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 50.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 50.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 50.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 50.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.98 154.3 16.59 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 50.0 111.634 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . 0.402 ' HZ3' ' CG ' ' A' ' 144' ' ' ASP . 73.4 mmtt -67.82 157.84 33.87 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.345 -1.354 . . . . 50.0 107.345 173.695 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.78 117.11 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 105.886 -1.894 . . . . 50.0 105.886 174.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.6 p -137.48 23.97 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.895 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 55.5 33.99 22.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.081 0.944 . . . . 25.0 111.451 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.039 1.876 . . . . 25.0 114.258 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 123.677 1.703 . . . . 25.0 115.378 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.3 mm -123.82 130.19 74.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 104.431 -2.433 . . . . 50.0 104.431 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.95 156.7 19.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 50.0 109.554 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.52 -9.34 21.58 Favored Glycine 0 C--O 1.221 -0.708 0 C-N-CA 121.584 -0.341 . . . . 25.0 112.82 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -80.8 4.23 19.79 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.104 0.779 . . . . 50.0 113.104 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.63 144.08 51.02 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 50.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 50.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 50.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 50.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 50.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 50.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 50.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 50.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 50.0 107.411 177.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 75.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 50.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 50.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 50.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 50.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 50.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 50.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 50.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 50.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 50.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.49 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 50.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 50.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.49 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 50.0 111.241 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 50.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 50.0 112.424 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 50.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 50.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 50.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 50.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 50.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 50.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 50.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 50.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 50.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 50.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 50.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 50.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 50.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 50.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 50.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 50.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 50.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 50.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 50.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 50.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 50.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 50.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 50.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 50.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 50.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 50.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 50.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 50.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.82 147.17 16.39 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 50.0 112.551 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.76 153.33 22.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.797 -1.186 . . . . 50.0 107.797 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.13 115.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 105.801 -1.926 . . . . 50.0 105.801 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 34.5 t -60.44 -32.22 71.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 59.0 t30 45.12 64.74 1.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 123.727 1.727 . . . . 25.0 113.468 177.26 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.3 m80 . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 122.034 0.921 . . . . 25.0 112.795 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.98 131.97 20.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 104.026 -2.583 . . . . 50.0 104.026 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -136.69 -166.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.485 -0.325 . . . . 50.0 111.032 -168.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.43 -176.76 45.34 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.612 0.605 . . . . 25.0 114.612 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -76.52 81.08 3.21 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.242 0.544 . . . . 50.0 111.325 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -131.47 158.05 41.87 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 50.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 50.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 50.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 50.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 50.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 50.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 50.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 50.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 50.0 106.012 179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 75.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 50.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 50.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 50.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 50.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 50.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 50.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 50.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 50.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 50.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 50.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 50.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 50.0 111.225 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 50.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 50.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 50.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 50.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 50.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 50.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 50.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 50.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 50.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 50.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 50.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 50.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 50.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 50.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 50.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 50.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 50.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 50.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 50.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 50.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 50.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 50.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 50.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 50.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 50.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 50.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 50.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 50.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 50.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.06 140.2 14.87 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 50.0 109.804 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.56 -27.03 61.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.273 0.558 . . . . 50.0 111.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.85 89.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.391 -0.822 . . . . 50.0 109.284 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 16.5 m -108.73 7.73 26.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 -173.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -137.49 142.03 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.583 . . . . 25.0 110.912 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 124.951 2.31 . . . . 25.0 110.768 177.172 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.0 m80 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 123.273 1.511 . . . . 25.0 114.662 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.74 159.5 43.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 106.288 -1.745 . . . . 50.0 106.288 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -90.92 132.35 35.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.64 0.257 . . . . 50.0 110.8 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.74 164.05 20.42 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.106 -0.569 . . . . 25.0 111.74 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -88.31 5.27 42.7 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.222 0.534 . . . . 50.0 111.519 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 143.34 45.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -175.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 50.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 50.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 50.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 50.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 50.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 50.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 50.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 50.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 50.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 75.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 50.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 50.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 50.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 50.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 50.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 50.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 50.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 50.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 50.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 50.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.482 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 50.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 50.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.482 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.8 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 50.0 110.848 175.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 50.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 50.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 50.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 50.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 50.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 50.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 50.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 50.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 50.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 50.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 50.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 50.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 50.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 50.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 50.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 50.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 50.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 50.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 50.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 50.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 50.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 50.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 50.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 50.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 50.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 50.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 50.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 50.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 50.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 50.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 50.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 50.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.19 146.63 16.43 Favored Glycine 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 50.0 108.407 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -71.15 129.05 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.009 -1.478 . . . . 50.0 107.009 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.13 -32.93 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.494 -0.558 . . . . 50.0 109.494 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.0 m 55.87 -100.82 0.12 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -157.36 168.83 26.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 123.534 1.635 . . . . 25.0 111.205 177.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 124.379 2.037 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm 56.25 49.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 112.471 -2.149 . . . . 50.0 106.712 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.84 17.37 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.712 -1.131 . . . . 50.0 113.421 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.94 -132.54 15.57 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.403 -1.079 . . . . 25.0 110.403 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 63.39 -59.88 0.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.985 1.714 . . . . 50.0 114.792 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 137.89 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 50.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 50.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 50.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 50.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 50.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 50.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 50.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 50.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 50.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 75.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 50.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 50.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 50.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 50.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 50.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 50.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 50.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 50.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 50.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 50.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 50.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 50.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 50.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 50.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 50.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 50.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 50.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 50.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 50.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 50.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 50.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 50.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 50.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 50.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 50.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 50.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 50.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 50.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 50.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 50.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 50.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 50.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 50.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 50.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 50.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 50.0 107.914 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 50.0 110.214 -176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 50.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 50.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 50.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 50.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 50.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 50.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 145.24 17.52 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 50.0 111.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -86.22 166.37 15.76 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.763 -1.199 . . . . 50.0 107.763 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.3 128.85 64.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 105.908 -1.886 . . . . 50.0 105.908 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 t -147.85 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -86.5 69.95 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.292 1.044 . . . . 25.0 109.737 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 124.839 2.257 . . . . 25.0 111.022 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 121.631 0.729 . . . . 25.0 112.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -121.49 161.59 21.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-O 121.241 0.543 . . . . 50.0 109.965 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -79.77 147.98 31.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.21 -0.905 . . . . 50.0 108.894 176.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.43 39.43 Favored Glycine 0 C--O 1.227 -0.339 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 64.49 -63.42 0.17 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 116.636 2.088 . . . . 50.0 116.636 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.37 146.65 30.72 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 50.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 50.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 50.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 50.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 50.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 50.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 50.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 50.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 50.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 75.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 50.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 50.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 50.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 50.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 50.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 50.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 50.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 50.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 50.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 50.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 50.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 50.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 50.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 50.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 50.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 50.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 50.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 50.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 50.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 50.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 50.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 50.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 50.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 50.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 50.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 50.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 50.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 50.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 50.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 50.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 50.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 50.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 50.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 50.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 50.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 50.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 50.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 50.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.43 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 50.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 50.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 50.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 50.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 50.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 50.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 50.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.32 146.69 16.96 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 50.0 109.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -122.4 161.88 22.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.47 . . . . 50.0 110.171 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.97 111.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.915 -1.142 . . . . 50.0 107.915 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 42.8 t -149.43 113.43 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.012 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 45.7 47.12 11.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.651 0.781 . . . . 25.0 113.093 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.221 1.486 . . . . 25.0 111.464 -179.877 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 123.788 1.756 . . . . 25.0 113.827 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.1 pt -130.52 157.21 42.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-N 113.304 -1.771 . . . . 50.0 107.874 178.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.74 167.22 14.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.641 -0.503 . . . . 50.0 109.641 178.052 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.97 -140.42 2.94 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.008 -0.837 . . . . 25.0 111.008 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.51 21.77 8.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.058 0.943 . . . . 50.0 113.394 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -108.09 142.77 37.78 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 175.526 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 50.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 50.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 50.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 50.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 50.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 50.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 50.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 50.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 50.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 75.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 50.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.468 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 50.0 110.734 -177.299 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 50.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 50.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 50.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 50.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 50.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 50.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 50.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 50.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 50.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 50.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 50.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 50.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 50.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 50.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 50.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 50.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 50.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 50.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 50.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 50.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 50.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 50.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 50.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 50.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 50.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 50.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 50.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 50.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 50.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 50.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 50.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 50.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 50.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 50.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 50.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 50.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 50.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 50.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 50.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 50.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 50.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 50.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.66 146.5 18.17 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 50.0 109.713 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.17 -41.81 69.91 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.226 -1.027 . . . . 50.0 108.226 176.271 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 37.3 mm -128.28 138.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 105.569 -2.012 . . . . 50.0 105.569 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.0 p -150.83 152.42 33.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.338 -1.727 . . . . 25.0 106.338 176.341 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -139.44 20.98 2.56 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -176.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.64 2.162 . . . . 25.0 111.311 -176.782 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 123.042 1.401 . . . . 25.0 114.486 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.7 mm -102.42 133.71 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 106.721 -1.585 . . . . 50.0 106.721 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.75 169.34 17.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.131 0.491 . . . . 50.0 111.721 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.44 -112.86 3.67 Favored Glycine 0 N--CA 1.455 -0.08 0 C-N-CA 121.143 -0.551 . . . . 25.0 112.758 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 56.07 -106.97 0.36 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.67 0.788 . . . . 50.0 112.119 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 146.24 44.58 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 50.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 50.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 50.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 50.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.406 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 50.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 50.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 50.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 50.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 50.0 106.302 178.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 75.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 50.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 50.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 50.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 50.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 50.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 50.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 50.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 50.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 50.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 50.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.415 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 50.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 50.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.415 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 50.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 50.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 50.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 50.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 50.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 50.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 50.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.405 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 50.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 50.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 50.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 50.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 50.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 50.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 50.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 50.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 50.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 50.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 50.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 50.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 50.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 50.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 50.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 50.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 50.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 50.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 50.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 50.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 50.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 50.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 50.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 50.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 50.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -110.72 144.73 17.28 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 50.0 109.533 176.431 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.79 -33.75 71.06 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.116 0.96 . . . . 50.0 108.789 175.643 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.1 mp -82.54 129.98 36.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.195 -1.366 . . . . 50.0 108.222 -179.392 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.4 p -136.17 163.1 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 50.06 40.12 20.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 122.1 0.953 . . . . 25.0 112.439 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.216 -0.691 0 CA-C-O 124.628 2.156 . . . . 25.0 112.497 -179.033 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.3 m170 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.127 1.528 . . . . 25.0 115.127 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.43 131.56 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.535 -1.283 . . . . 50.0 107.535 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -112.94 175.79 5.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.644 -1.162 . . . . 50.0 109.202 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.56 36.94 32.16 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -176.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -119.41 160.93 21.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.679 1.363 . . . . 50.0 114.679 -172.235 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.57 143.35 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 163.811 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 50.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 50.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 50.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 50.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 50.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 50.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 50.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 50.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 75.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 50.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 50.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 50.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 50.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 50.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 50.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 50.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 50.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 50.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 50.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 50.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 50.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 50.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 50.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 50.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 50.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 50.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 50.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 50.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 50.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 50.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 50.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 50.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 50.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 50.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 50.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 50.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 50.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 50.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 50.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 50.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 50.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 50.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 50.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 50.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 50.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 50.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 50.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 50.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 50.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 50.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 50.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 50.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.91 151.1 17.23 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 50.0 108.815 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -69.47 128.21 35.73 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.372 -0.973 . . . . 50.0 108.372 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.46 117.64 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.671 -1.974 . . . . 50.0 105.671 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 m -139.77 149.11 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 62.58 178.2 0.14 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.417 1.087 . . . . 25.0 112.385 -179.275 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 124.288 1.994 . . . . 25.0 113.071 -179.432 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 123.129 1.443 . . . . 25.0 114.055 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.8 tt -75.54 144.59 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.936 -1.484 . . . . 50.0 110.493 -179.063 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -70.45 169.27 14.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.567 0.699 . . . . 50.0 111.034 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.92 -176.47 15.01 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 178.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 56.19 27.17 11.23 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.67 0.989 . . . . 50.0 113.67 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -85.34 150.61 24.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 170.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 50.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 50.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 50.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 50.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.437 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 50.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 50.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 50.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 50.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 75.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 50.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 50.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 50.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 50.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.442 ' HB3' ' HZ1' ' A' ' 161' ' ' LYS . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 50.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 50.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 50.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 50.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 50.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 50.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 50.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 50.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 50.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 50.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 50.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 50.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 50.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 50.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 50.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.46 ' CG ' ' HZ1' ' A' ' 176' ' ' LYS . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 50.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 50.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 50.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 50.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 50.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 50.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 50.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 50.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 50.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 50.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 50.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 50.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 50.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.442 ' HZ1' ' HB3' ' A' ' 122' ' ' ASP . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 50.0 114.317 -178.506 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 50.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 50.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 50.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 50.0 107.944 -178.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 50.0 109.552 -176.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 50.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 50.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 50.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 50.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.437 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 50.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 50.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.25 152.17 18.41 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 50.0 107.873 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . 0.46 ' HZ1' ' CG ' ' A' ' 144' ' ' ASP . 72.0 mmtt -68.52 117.46 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 106.402 -1.703 . . . . 50.0 106.402 174.869 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.44 -37.49 78.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.994 -0.548 . . . . 50.0 109.761 -176.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.3 t 53.61 33.77 17.18 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.626 0.972 . . . . 25.0 113.626 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -57.85 -34.55 69.84 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -178.084 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.557 1.646 . . . . 25.0 111.192 179.432 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.7 mt 73.92 154.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.277 1.831 . . . . 50.0 108.752 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 42.06 -99.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 117.518 2.414 . . . . 50.0 117.518 -177.187 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.96 -43.02 3.12 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -173.484 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.89 -33.42 73.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.398 -0.593 . . . . 50.0 109.398 175.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 140.37 52.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 170.422 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 50.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 50.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 50.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 50.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 50.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 50.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 50.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 50.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 75.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 50.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 50.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 50.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 50.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 50.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 50.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 50.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 50.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 50.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.491 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 50.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 50.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.491 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.0 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 50.0 110.717 174.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 50.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 50.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 50.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 50.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 50.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 50.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 50.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 50.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 50.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 50.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 50.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 50.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 50.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 50.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 50.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 50.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 50.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 50.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 50.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 50.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 50.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 50.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 50.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 50.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 50.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 50.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 50.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 50.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 50.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 50.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 50.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -90.48 144.89 17.7 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 50.0 107.696 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.79 -30.46 66.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.81 0.814 . . . . 50.0 108.844 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.46 79.41 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.79 -1.559 . . . . 50.0 106.79 177.087 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 54.7 m -157.75 165.26 35.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.79 152.43 31.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.502 0.668 . . . . 25.0 109.211 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 124.505 2.097 . . . . 25.0 110.031 172.522 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.1 m170 . . . . . 0 N--CA 1.504 2.241 0 CA-C-O 124.233 1.968 . . . . 25.0 113.567 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 pt -82.6 149.34 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 114.075 -1.42 . . . . 50.0 108.283 175.39 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.31 136.49 54.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.258 -1.386 . . . . 50.0 107.258 177.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.7 -150.14 14.5 Favored Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.188 -1.006 . . . . 25.0 112.202 -175.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -70.4 -6.15 33.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.615 0.598 . . . . 50.0 112.615 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -117.63 151.85 36.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 175.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 50.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 50.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 50.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 50.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 50.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 50.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 50.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 50.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 50.0 106.944 178.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 75.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 50.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 50.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 50.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 50.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 50.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 50.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 50.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 50.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 50.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 50.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 50.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 50.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 50.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 50.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 50.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 50.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 50.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 50.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 50.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 50.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 50.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 50.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 50.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 50.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 50.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 50.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 50.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 50.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 50.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 50.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 50.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 50.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 50.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 50.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 50.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 50.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 50.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 50.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 50.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 50.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 50.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 50.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 50.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 50.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.7 148.16 16.42 Favored Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 50.0 110.095 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -129.62 163.42 26.09 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 122.96 0.504 . . . . 50.0 111.79 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 47.5 mm -103.09 112.16 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.522 -1.658 . . . . 50.0 106.522 175.42 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.8 p -109.15 6.23 24.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.213 0.53 . . . . 25.0 110.337 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -81.63 77.3 8.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.853 0.835 . . . . 25.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.777 2.227 . . . . 25.0 112.984 -177.418 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.3 m80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.251 0.548 . . . . 25.0 111.875 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -87.62 158.07 3.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 106.254 -1.758 . . . . 50.0 106.254 177.05 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -72.71 -35.48 67.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.851 0.834 . . . . 50.0 110.254 -177.947 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.76 -161.16 53.35 Favored Glycine 0 C--O 1.221 -0.683 0 CA-C-N 115.231 -0.895 . . . . 25.0 111.83 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -137.41 -4.43 1.86 Allowed 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 112.818 0.673 . . . . 50.0 112.818 178.028 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 147.49 50.56 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 -177.833 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 50.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 50.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 50.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 50.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 50.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 50.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 50.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 50.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 75.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 50.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 50.0 108.936 -176.626 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 50.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 50.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 50.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 50.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 50.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 50.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 50.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . 0.459 HG21 HE21 ' A' ' 133' ' ' GLN . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 50.0 109.512 178.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 50.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 50.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 HG21 ' A' ' 129' ' ' ILE . 74.8 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 50.0 111.09 174.129 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 50.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 50.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 50.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 50.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 50.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 50.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 50.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 50.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 50.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 50.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 50.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 50.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 50.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 50.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 50.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 50.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 50.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 50.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 50.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 50.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 50.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 50.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 50.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 50.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 50.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 50.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 50.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 50.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 50.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 50.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 50.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.74 144.95 29.54 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 50.0 110.507 177.854 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -69.22 144.38 53.71 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.177 -1.416 . . . . 50.0 107.177 175.518 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.04 90.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 106.522 -1.659 . . . . 50.0 106.522 177.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 m -143.83 42.65 1.46 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.75 0.42 . . . . 25.0 110.935 -174.572 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.72 126.9 36.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.53 1.532 . . . . 25.0 114.63 175.738 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 124.317 2.008 . . . . 25.0 114.577 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.46 124.96 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 107.087 -1.449 . . . . 50.0 107.087 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 161.49 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.648 0.737 . . . . 50.0 110.321 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.47 33.74 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -178.384 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 54.62 33.93 20.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.399 0.68 . . . . 50.0 112.249 -177.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 145.8 26.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -178.938 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 50.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 50.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 50.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 50.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 50.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 50.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 50.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 50.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.406 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 50.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 75.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 50.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 50.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 50.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 50.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.425 ' CD ' ' HZ3' ' A' ' 161' ' ' LYS . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 50.0 111.741 178.869 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 50.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 50.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 50.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 50.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 50.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 50.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 50.0 111.369 174.189 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 50.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 50.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 50.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 50.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 50.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 50.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 50.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 50.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 50.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 50.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 50.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 50.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 50.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 50.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 50.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 50.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 50.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 50.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 50.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.425 ' HZ3' ' CD ' ' A' ' 121' ' ' GLU . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 50.0 113.138 178.247 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 50.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 50.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 50.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 50.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 50.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 50.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 50.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 50.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 50.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 50.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 50.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.07 142.62 15.96 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 50.0 109.465 177.612 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.79 -28.57 63.71 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.133 0.968 . . . . 50.0 108.388 175.482 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.1 mm -121.72 138.59 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 113.816 -1.538 . . . . 50.0 107.424 -177.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.8 m -76.72 82.32 3.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 175.262 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.75 -24.18 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -174.842 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 123.258 1.504 . . . . 25.0 111.434 179.777 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 122.62 1.2 . . . . 25.0 113.516 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.11 88.14 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 107.225 -1.398 . . . . 50.0 107.225 -176.809 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -98.29 13.24 32.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 50.0 111.111 -174.869 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.95 -103.05 0.92 Allowed Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.524 -0.762 . . . . 25.0 112.61 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -83.16 -14.31 53.75 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.908 -0.172 . . . . 50.0 111.09 -179.207 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.488 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -84.51 146.21 27.7 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 50.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 50.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 50.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 50.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 50.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 50.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 50.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 50.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 50.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 75.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 50.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.488 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 50.0 110.726 -177.499 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 50.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 50.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 50.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 50.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 50.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 50.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 50.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 50.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 50.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 50.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 50.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 50.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 50.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 50.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 50.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 50.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 50.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 50.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 50.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 50.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 50.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 50.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 50.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 50.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 50.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 50.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 50.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 50.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 50.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 50.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 50.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 50.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 50.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 50.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 50.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 50.0 113.46 -171.189 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 50.0 109.231 -175.212 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 50.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 50.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 50.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 50.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 50.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 50.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.19 116.79 4.65 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 50.0 111.13 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.51 0.672 . . . . 50.0 109.648 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 96.6 mt -131.37 126.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.352 -1.722 . . . . 50.0 106.352 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.1 m 61.47 178.03 0.12 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.155 0.982 . . . . 25.0 113.042 -176.95 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -120.35 26.31 9.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.005 0.907 . . . . 25.0 110.249 -177.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 123.856 1.789 . . . . 25.0 111.082 -176.954 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 124.22 1.962 . . . . 25.0 113.039 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.96 116.31 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 106.16 -1.792 . . . . 50.0 106.16 177.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -71.92 146.75 47.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 50.0 109.676 178.728 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.78 9.16 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -62.63 -17.8 61.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.274 0.472 . . . . 50.0 112.274 178.522 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.72 142.09 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 50.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 50.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 50.0 110.921 -178.318 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 50.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.405 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 50.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 50.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 50.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 50.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 50.0 107.825 178.914 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 75.0 109.511 160.074 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 50.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 50.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 50.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 50.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . 0.451 ' CD ' ' HZ1' ' A' ' 161' ' ' LYS . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 50.0 109.593 173.692 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 50.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 50.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 50.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 50.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 50.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.476 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 50.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 50.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.476 HE21 ' HA ' ' A' ' 130' ' ' ALA . 29.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 50.0 110.816 175.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 50.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 50.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 50.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 50.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 50.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 50.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 50.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 50.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 50.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 50.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 50.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 50.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 50.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 50.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 50.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 50.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 50.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 50.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 50.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . 0.451 ' HZ1' ' CD ' ' A' ' 121' ' ' GLU . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 50.0 113.35 176.062 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 50.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 50.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 50.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 50.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 50.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 50.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 50.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 50.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 50.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 50.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -101.95 145.92 16.85 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 50.0 108.237 175.893 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.32 126.62 30.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.767 0.317 . . . . 50.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 49.1 mm -71.08 -37.06 65.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.567 -1.271 . . . . 50.0 107.567 175.43 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.7 t -81.99 109.15 16.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.46 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.46 138.29 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.554 0.692 . . . . 25.0 111.767 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 125.185 2.421 . . . . 25.0 112.368 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 124.268 1.985 . . . . 25.0 113.363 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 pt -77.14 167.89 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 113.256 -1.793 . . . . 50.0 109.926 177.451 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.28 156.52 34.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.316 0.579 . . . . 50.0 110.216 177.784 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.75 157.22 15.17 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.665 -179.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -108.28 13.03 26.02 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.385 0.674 . . . . 50.0 109.555 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.484 ' CE1' ' HB2' ' A' ' 118' ' ' GLU . 2.4 t-160 -126.32 134.18 51.18 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 50.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 50.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 50.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 50.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 50.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 50.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 50.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 50.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 50.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 75.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 50.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.484 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 50.0 110.63 -172.351 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 50.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 50.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 50.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 50.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 50.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 50.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 50.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 50.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 50.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 50.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 50.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 50.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 50.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 50.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 50.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 50.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 50.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 50.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 50.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 50.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 50.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 50.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 50.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 50.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 50.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 50.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 50.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 50.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 50.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 50.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 50.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 50.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 50.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 50.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 50.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 50.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 50.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 50.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 50.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 50.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 50.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 50.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.12 21.0 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 50.0 109.02 175.199 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.8 164.3 27.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.97 0.414 . . . . 50.0 110.827 177.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.52 127.17 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 177.86 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.2 m -84.93 152.94 23.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.326 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -124.31 31.34 5.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.992 0.901 . . . . 25.0 110.296 178.521 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.687 0 CA-C-O 124.331 2.015 . . . . 25.0 113.906 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p80 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.7 mt 72.99 131.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 126.592 1.957 . . . . 50.0 111.466 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 74.2 150.57 0.11 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 50.0 113.163 -177.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.63 65.36 0.31 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.866 -0.607 . . . . 25.0 113.879 -172.513 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -65.97 148.47 51.75 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.016 -0.697 . . . . 50.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 151.42 31.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.472 -0.785 . . . . 25.0 109.029 173.537 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 50.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 50.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 50.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 50.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 50.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 50.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 50.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 50.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 50.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 75.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 50.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 50.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 50.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 50.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 50.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 50.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 50.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 50.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 50.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 50.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 50.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 50.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 50.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 50.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 50.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 50.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 50.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 50.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 50.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 50.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 50.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 50.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 50.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 50.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 50.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 50.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 50.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 50.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 50.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 50.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 50.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 50.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 50.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 50.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 50.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 50.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 50.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 50.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.46 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 50.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 50.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 50.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 50.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 50.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 50.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 50.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -95.67 136.34 12.82 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 50.0 111.227 176.279 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.85 -47.18 9.26 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.525 -1.287 . . . . 50.0 107.525 175.298 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.8 mt -93.27 124.38 45.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 113.152 -1.84 . . . . 50.0 106.539 179.512 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 37.6 t -110.67 112.43 24.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 177.796 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -126.14 17.02 7.83 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.987 0.422 . . . . 25.0 110.837 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.206 -1.194 0 CA-C-O 122.396 1.094 . . . . 25.0 112.236 -174.552 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 123.515 1.626 . . . . 25.0 112.875 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.6 mm 62.93 47.63 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 104.127 -2.545 . . . . 50.0 104.127 -172.037 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 1.9 pm0 -70.05 170.22 11.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.15 -2.296 . . . . 50.0 110.058 -178.387 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.95 2.78 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 109.576 -1.41 . . . . 25.0 109.576 -175.68 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -69.9 -21.23 63.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.174 -1.047 . . . . 50.0 108.174 172.732 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.73 143.82 50.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 171.19 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 50.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 50.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 50.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 50.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 50.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 50.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 50.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 50.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 50.0 106.737 179.625 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 75.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 50.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 50.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 50.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 50.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 50.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 50.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 50.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 50.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 50.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 50.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.422 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 50.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 50.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.422 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 50.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 50.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 50.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 50.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 50.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 50.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 50.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 50.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 50.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 50.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 50.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 50.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 50.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 50.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 50.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 50.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 50.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 50.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 50.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 50.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 50.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 50.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 50.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 50.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 50.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 50.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 50.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 50.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 50.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 50.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 50.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 50.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 50.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.38 147.48 18.05 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 50.0 108.101 178.968 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -126.94 170.32 12.38 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.406 . . . . 50.0 109.997 178.823 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.41 97.28 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.147 -0.686 . . . . 50.0 109.147 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.9 p -71.2 145.48 49.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 175.092 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -134.45 140.37 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -178.96 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.206 -1.186 0 CA-C-O 124.183 1.944 . . . . 25.0 112.197 -178.998 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 124.168 1.937 . . . . 25.0 114.085 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -117.29 165.57 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 113.094 -1.867 . . . . 50.0 107.085 175.732 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -128.64 166.33 19.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.259 -1.015 . . . . 50.0 108.259 178.494 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.69 -158.36 20.51 Favored Glycine 0 C--O 1.221 -0.695 0 N-CA-C 108.829 -1.709 . . . . 25.0 108.829 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -77.05 3.5 12.24 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.272 0.536 . . . . 50.0 111.162 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -123.81 141.0 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 175.888 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 50.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 50.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 50.0 111.693 -173.438 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 50.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 50.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 50.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 50.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 50.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 50.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 75.0 108.49 159.956 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 50.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 50.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 50.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 50.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 50.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 50.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 50.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 50.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 50.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 50.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 50.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 50.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 50.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 50.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 50.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 50.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 50.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 50.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 50.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.443 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 50.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 50.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 50.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 50.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 50.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 50.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 50.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 50.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 50.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 50.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 50.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 50.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 50.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 50.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 50.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 50.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 50.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 50.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.507 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 50.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.507 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 50.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 50.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 50.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 50.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 50.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 50.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 50.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.443 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -107.29 146.19 16.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 50.0 111.451 177.612 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -80.58 -48.66 12.38 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 107.689 -1.226 . . . . 50.0 107.689 174.773 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.42 -36.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 112.992 -1.913 . . . . 50.0 107.578 -177.174 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 m -60.01 114.18 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.838 176.647 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -126.45 89.36 2.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.784 0.802 . . . . 25.0 109.323 -179.459 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.206 -1.201 0 CA-C-O 123.82 1.772 . . . . 25.0 112.388 -176.218 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 124.791 2.234 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 pt -141.86 163.47 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 112.442 -2.163 . . . . 50.0 107.131 178.44 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.31 157.84 36.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.283 -1.006 . . . . 50.0 108.283 175.849 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.42 -155.06 26.17 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.027 -1.229 . . . . 25.0 110.027 -177.69 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -80.04 36.97 0.36 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.792 0.664 . . . . 50.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -143.82 137.37 27.93 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 176.3 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 50.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 50.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 50.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 50.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.439 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 50.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 50.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 50.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 50.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 50.0 108.101 -178.39 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 75.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 50.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 50.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 50.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 50.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 50.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 50.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 50.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 50.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 50.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 50.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 50.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 50.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.417 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.6 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 50.0 110.944 176.383 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 50.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 50.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 50.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 50.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 50.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 50.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.41 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 50.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 50.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 50.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 50.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 50.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 50.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 50.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 50.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 50.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 50.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 50.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 50.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 159' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 50.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 50.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 50.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 50.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 50.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 50.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 50.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 50.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 50.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 50.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 50.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 50.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.439 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 50.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 50.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.41 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -125.2 140.54 12.4 Favored Glycine 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 50.0 114.254 -175.175 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.04 -29.73 9.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.389 0.614 . . . . 50.0 110.319 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.15 86.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 106.356 -1.72 . . . . 50.0 106.356 176.247 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.9 m -141.19 158.52 43.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 -177.148 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 52.08 42.25 30.4 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.141 0.972 . . . . 25.0 112.318 -178.186 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 124.669 2.176 . . . . 25.0 112.446 179.409 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 m80 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.3 mm -119.62 117.74 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 106.0 -1.852 . . . . 50.0 106.0 178.13 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -138.97 160.44 39.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.816 -0.439 . . . . 50.0 109.816 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.43 176.51 23.34 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 114.054 0.381 . . . . 25.0 114.054 176.78 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -130.12 38.97 3.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.182 0.991 . . . . 50.0 109.515 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 149.02 44.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 177.486 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 50.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 50.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 50.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.417 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 50.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 50.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . 0.537 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 50.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 50.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 50.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.417 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 50.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 75.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 50.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 50.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 50.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 50.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 50.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 50.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 50.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 50.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 50.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 50.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 50.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 50.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 50.0 111.069 175.864 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 50.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 50.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 50.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 50.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 50.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 50.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 50.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 50.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 50.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 50.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 50.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 50.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 50.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 50.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 50.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 50.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 50.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 50.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 50.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 50.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 50.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 50.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 50.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 50.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 50.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 50.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 50.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 50.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 50.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 50.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 50.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . 0.537 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 50.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.87 133.89 11.3 Favored Glycine 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 50.0 110.785 176.969 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.28 153.78 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.799 -0.815 . . . . 50.0 108.799 176.762 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.42 125.82 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.481 -1.674 . . . . 50.0 106.481 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 48.5 m -138.68 158.45 44.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -150.71 145.71 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 124.025 1.869 . . . . 25.0 113.69 179.309 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 124.613 2.149 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 mt 63.16 22.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 112.161 -2.29 . . . . 50.0 108.941 -179.23 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -135.36 133.82 39.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.091 -1.818 . . . . 50.0 106.091 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.79 0.05 38.58 Favored Glycine 0 C--O 1.22 -0.723 0 C-N-CA 120.828 -0.701 . . . . 25.0 114.559 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.38 -24.44 64.78 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.174 -0.603 . . . . 50.0 111.283 179.244 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 151.88 33.48 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -178.066 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 50.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 50.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 50.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 50.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.41 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 50.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 50.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 50.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 50.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 50.0 107.069 -179.351 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 75.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 50.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 50.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 50.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 50.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 50.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 50.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 50.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 50.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 50.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 50.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 50.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 50.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 50.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 50.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 50.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 50.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 50.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 50.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 50.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.413 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 50.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 50.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 50.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 50.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 50.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 50.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 50.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 50.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 50.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 50.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 50.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 50.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 50.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 50.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 50.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 50.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 50.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 50.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 50.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 50.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 50.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 50.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 50.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 50.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 50.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 50.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . 0.413 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -114.78 147.81 18.88 Favored Glycine 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 50.0 111.389 -176.341 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -119.04 147.35 44.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.704 -0.48 . . . . 50.0 109.704 175.362 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.67 -60.01 2.6 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 108.575 -0.898 . . . . 50.0 108.575 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.57 20.26 2.05 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 177.084 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -92.26 94.43 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.749 0.785 . . . . 25.0 110.397 -178.912 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 124.726 2.203 . . . . 25.0 112.16 178.447 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 124.109 1.909 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -120.32 131.28 73.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 113.137 -1.847 . . . . 50.0 107.754 -178.567 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.07 173.84 11.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.745 -1.576 . . . . 50.0 106.745 177.735 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.93 -24.75 12.42 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 108.856 -1.698 . . . . 25.0 108.856 -176.517 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 49.76 44.77 24.95 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.671 0.989 . . . . 50.0 113.671 171.231 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 148.29 23.89 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.764 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 50.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 50.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 50.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 50.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 50.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 50.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 50.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 50.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 50.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 75.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 50.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 50.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 50.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 50.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 50.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 50.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 50.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 50.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 50.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 50.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 50.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 50.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 50.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 50.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 50.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 50.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 50.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 50.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 50.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 50.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 50.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 50.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 50.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 50.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 50.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 50.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 50.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 50.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 50.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 50.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 50.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 50.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 50.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 50.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 50.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 50.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 50.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 50.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 50.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 50.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 50.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 50.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 50.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 50.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 50.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -97.5 148.43 18.95 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 50.0 106.444 176.441 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.54 126.23 26.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.187 0.517 . . . . 50.0 111.495 -179.924 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.97 113.5 20.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 107.19 -1.411 . . . . 50.0 107.19 176.73 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.1 t 53.16 50.6 17.39 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 178.296 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -51.61 114.01 1.14 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.229 0.538 . . . . 25.0 111.972 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.208 -1.117 0 CA-C-O 124.401 2.048 . . . . 25.0 112.421 -177.392 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 123.874 1.797 . . . . 25.0 113.331 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 108.71 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 106.541 -1.651 . . . . 50.0 106.541 177.807 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.85 168.9 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.893 -1.049 . . . . 50.0 113.483 -170.512 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.0 -68.6 3.5 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -176.763 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -68.91 -20.9 64.24 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.982 0.42 . . . . 50.0 110.698 177.321 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.99 136.21 50.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 169.074 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 50.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 50.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 50.0 109.383 -178.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 50.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 50.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 50.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 50.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 50.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 50.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 75.0 108.746 159.942 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 50.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 50.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 50.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 50.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 50.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 50.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 50.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 50.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 50.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 50.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 50.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 50.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 50.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 50.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 50.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 50.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 50.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 50.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 50.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 50.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 50.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 50.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 50.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 50.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 50.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 50.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 50.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 50.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 50.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 50.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 50.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 50.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 50.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 50.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 50.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 50.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 50.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 50.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 50.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 50.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 50.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 50.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 50.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 50.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -109.87 145.89 17.02 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 50.0 110.925 -178.697 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -75.1 137.65 41.56 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.933 -1.506 . . . . 50.0 106.933 175.107 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 91.0 mt -72.28 126.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 104.852 -2.277 . . . . 50.0 104.852 173.377 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 47.6 t -135.99 148.38 48.41 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.855 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -114.52 15.69 17.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.76 0.79 . . . . 25.0 109.805 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 123.851 1.786 . . . . 25.0 112.07 -178.219 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.639 1.209 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -128.17 165.77 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 107.726 -1.212 . . . . 50.0 107.726 176.753 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 161.63 27.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.186 -0.672 . . . . 50.0 109.186 176.1 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.23 166.42 54.58 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 111.991 -0.444 . . . . 25.0 111.991 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -119.88 164.45 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.002 0.906 . . . . 50.0 113.204 -176.052 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.403 ' HD1' ' CD ' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -102.34 152.59 20.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 176.065 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 50.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 50.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 50.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 50.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 50.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 50.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 50.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 50.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 50.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 75.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 50.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.403 ' CD ' ' HD1' ' A' ' 100' ' ' HIS . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 50.0 109.043 -175.863 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 50.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 50.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 50.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 50.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 50.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 50.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 50.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 50.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 50.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 50.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 50.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 50.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 50.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 50.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 50.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 50.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 50.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 50.0 109.015 -174.563 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 50.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 50.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 50.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 50.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 50.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 50.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 50.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 50.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 50.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 50.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 50.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 50.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 50.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 50.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 50.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 50.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 50.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . 0.471 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 50.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . 0.471 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 50.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 50.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 50.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 50.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 50.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 50.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 50.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -109.37 141.85 16.13 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 50.0 111.371 -178.843 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -72.94 -42.04 63.87 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.248 1.023 . . . . 50.0 108.588 175.526 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.56 -28.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 113.388 -1.733 . . . . 50.0 109.244 -176.917 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.5 t -80.08 92.39 5.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.776 179.431 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -137.73 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 176.436 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 124.008 1.861 . . . . 25.0 114.088 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 122.792 1.282 . . . . 25.0 114.029 . . . . . . . . . 0 0 . 1 . 041 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 mp 58.03 52.34 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 106.878 -1.527 . . . . 50.0 106.878 -177.788 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.33 163.34 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.905 -1.498 . . . . 50.0 108.367 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.46 7.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 118.347 2.099 . . . . 25.0 118.347 -175.411 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -166.6 39.04 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.297 1.048 . . . . 50.0 113.007 -177.428 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 153.11 30.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 179.675 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 50.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 50.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 50.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 50.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 50.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 50.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 50.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 50.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 50.0 107.829 178.054 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 75.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 50.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 50.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 50.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 50.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 50.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 50.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 50.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 50.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 50.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 50.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 50.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 50.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 50.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 50.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 50.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 50.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 50.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 50.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 50.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 50.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 50.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 50.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 50.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 50.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 50.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 50.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 50.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 50.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 50.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 50.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 50.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 50.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 50.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 50.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 50.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 50.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 50.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 50.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 50.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 50.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 50.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 50.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 50.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 50.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 50.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.48 147.82 16.35 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 50.0 110.303 178.677 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.43 -32.15 3.91 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.564 0.579 . . . . 50.0 112.564 176.613 . . . . . . . . 2 2 . 1 . 041 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.99 96.4 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 105.037 -2.209 . . . . 50.0 105.037 176.905 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.0 t 58.82 -157.11 0.32 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 -171.555 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 51.21 71.7 0.42 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.118 0.961 . . . . 25.0 111.409 179.127 . . . . . . . . 1 1 . 1 . 041 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.207 -1.162 0 CA-C-O 124.281 1.991 . . . . 25.0 113.515 -179.87 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.333 1.54 . . . . 25.0 114.061 . . . . . . . . . 0 0 . 1 . 042 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.49 49.83 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 105.246 -2.131 . . . . 50.0 105.246 178.712 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.3 -172.95 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.609 1.707 . . . . 50.0 115.609 -178.488 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.39 51.25 3.28 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-O 121.7 0.611 . . . . 25.0 113.357 -178.682 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -63.1 166.31 6.1 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.518 0.675 . . . . 50.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -92.05 158.85 16.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.96 175.425 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 50.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 50.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 50.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 50.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.445 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 50.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 50.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 50.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 50.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 50.0 107.976 -179.16 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 75.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 50.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 50.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 50.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 50.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 50.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 50.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 50.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 50.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 50.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 50.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.466 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 50.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 50.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . 0.466 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 50.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 50.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 50.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 50.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 50.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 50.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 50.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 50.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 50.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 50.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 50.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 50.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 50.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 50.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 50.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 50.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 50.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 50.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 50.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 50.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 50.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 50.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 50.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 50.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 50.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 50.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 50.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 50.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 50.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 50.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 50.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . 0.445 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 50.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 50.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.31 127.14 9.07 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 50.0 112.164 -179.431 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -92.61 -29.6 16.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.226 0.536 . . . . 50.0 110.24 176.538 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.23 -50.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 50.0 109.996 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 m 49.94 26.58 2.05 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.823 1.786 . . . . 25.0 115.823 178.907 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.3 118.31 9.8 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 121.667 -0.645 . . . . 25.0 109.824 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.37 1.868 . . . . 25.0 115.129 179.301 . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.205 -1.25 0 CA-C-O 122.475 1.131 . . . . 25.0 113.166 . . . . . . . . . 0 0 . 1 . 043 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.58 114.29 25.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.364 -1.347 . . . . 50.0 107.364 -177.565 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -73.48 160.75 31.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.187 0.595 . . . . 50.0 110.162 -179.855 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.62 -142.94 3.63 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 108.681 -1.768 . . . . 25.0 108.681 -178.327 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -81.26 32.88 0.34 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.245 1.022 . . . . 50.0 109.872 177.74 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.2 137.07 50.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 50.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 50.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 50.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 50.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 50.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 50.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 50.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 50.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 50.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 75.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 50.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 50.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 50.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 50.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 50.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 50.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 50.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 50.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 50.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 50.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 50.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 50.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 50.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 50.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 50.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 50.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 50.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 50.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 50.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 50.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 144' ' ' ASP . . . . . 0.469 ' CG ' ' HZ2' ' A' ' 176' ' ' LYS . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 50.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 50.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 50.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 50.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 50.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 50.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 50.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 50.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 50.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 50.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 50.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 50.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 50.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 50.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 50.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 50.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 50.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 50.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 50.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 50.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 50.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 50.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 50.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 50.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 50.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.92 138.62 14.33 Favored Glycine 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 50.0 109.03 176.544 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 176' ' ' LYS . . . . . 0.469 ' HZ2' ' CG ' ' A' ' 144' ' ' ASP . 63.0 pttt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.392 0.886 . . . . 50.0 113.392 179.248 . . . . . . . . 2 2 . 1 . 043 nuclear orig full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.0 mm -119.91 -50.35 3.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 113.674 -1.603 . . . . 50.0 107.705 177.034 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.4 p -144.96 -17.01 0.51 Allowed 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 177.987 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -137.08 172.25 13.28 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 -175.072 . . . . . . . . 1 1 . 1 . 043 nuclear orig full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 123.769 1.747 . . . . 25.0 113.22 -178.591 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 25.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 25.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 25.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 25.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 25.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 25.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 25.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 25.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 25.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 25.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 25.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 25.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 25.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 25.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 25.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 25.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 25.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 25.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 25.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 25.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 25.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 25.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 25.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 25.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 25.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 25.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 25.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 25.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 25.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 25.0 110.539 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.42 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 25.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 25.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 25.0 114.267 -174.684 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 25.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 25.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 25.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 25.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 25.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 25.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 25.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 25.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 25.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 25.0 110.953 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 25.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 25.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 25.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 25.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 25.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 25.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 25.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 25.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 25.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 25.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 25.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 25.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 25.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 25.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 25.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 25.0 111.483 -177.572 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 25.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 25.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 25.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 25.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 25.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 25.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 25.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 25.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 25.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 25.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.424 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 25.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 25.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 25.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 25.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 25.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 25.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 25.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 25.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 25.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 25.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 25.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 25.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 25.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 25.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 25.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 25.0 110.307 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 25.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 25.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 25.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 25.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.428 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 25.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 25.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 25.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 25.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 25.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 25.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 25.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 25.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 25.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 25.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 25.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 25.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 25.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 25.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 25.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 25.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 25.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 25.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 25.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 25.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 25.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 25.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 25.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 25.0 108.619 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 . . . . . 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 25.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 25.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 25.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 25.0 106.326 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 25.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 25.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 25.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 25.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 25.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 25.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 25.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 25.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 25.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 25.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 25.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 25.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 25.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 25.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 25.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 25.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 25.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 25.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 25.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 25.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 25.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 25.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 25.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 25.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 25.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 25.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 25.0 107.135 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 25.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 25.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 25.0 108.564 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 25.0 110.969 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 25.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 25.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 25.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 25.0 110.902 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 25.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 25.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 25.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 25.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 25.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 25.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 25.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 25.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 25.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 25.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 25.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 25.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 25.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 25.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 25.0 106.708 175.713 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 25.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 25.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 25.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 25.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 25.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 25.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 25.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 25.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 25.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 25.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 25.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 25.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 25.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 25.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 25.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 25.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 25.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 25.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 25.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 25.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 25.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 25.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 25.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 25.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 25.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 25.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 25.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 25.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 25.0 110.675 178.026 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 25.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 25.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 25.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 25.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 25.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 25.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 25.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 25.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 25.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 25.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 25.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 25.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 25.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 25.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 25.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 25.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 25.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 25.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 25.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.466 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 25.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 25.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 25.0 111.538 179.74 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 25.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 25.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 25.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 25.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 25.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 25.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 25.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 25.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 25.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 25.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 25.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 25.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 25.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 25.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 25.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 25.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 25.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 25.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 25.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 25.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 25.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 25.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 25.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 25.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 178.327 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 25.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 25.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 25.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 25.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 25.0 110.134 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 25.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 25.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 25.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 25.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 25.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 25.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 25.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 25.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 25.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 25.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 25.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 25.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 25.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 25.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 25.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 25.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 25.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 25.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 25.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 25.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.453 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 25.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 176.873 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 25.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 25.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 25.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 25.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 25.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 25.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 25.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 25.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 25.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 25.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 25.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 25.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 25.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 25.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 25.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 25.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 25.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 25.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 25.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 25.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 25.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 25.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 25.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 25.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 25.0 111.482 -178.24 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 25.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 25.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 25.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 25.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 25.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 25.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 25.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 25.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 25.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 25.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 25.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 25.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 25.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 25.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 25.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 25.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 25.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 25.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 25.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 25.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 25.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 25.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 25.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 25.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 25.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 25.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 25.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 25.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 25.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 178.266 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 121.337 0.589 . . . . 25.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 25.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 25.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 25.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 25.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 25.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 25.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 25.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 25.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 25.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 25.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 25.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 130' ' ' ALA . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 25.0 110.333 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 25.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 25.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 25.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 25.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 25.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 25.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 25.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 25.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 25.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 25.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 25.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 25.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 25.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 25.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 25.0 112.085 -178.286 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 25.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 25.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.399 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 25.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 25.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 25.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 25.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 25.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 25.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 25.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 25.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 25.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 25.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 25.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 25.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 25.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 25.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 25.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 25.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 25.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 25.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 25.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 25.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 25.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 25.0 109.171 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 25.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 25.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 25.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 25.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 25.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 25.0 113.054 -177.692 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 25.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 25.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 25.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 25.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.415 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 25.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 25.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 25.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 25.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 25.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 25.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 25.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 25.0 111.261 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 25.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 25.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 25.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 25.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 25.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 25.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 25.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 25.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 25.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 25.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 25.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -176.727 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 25.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 25.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.657 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 25.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 25.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 25.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 25.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 25.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 25.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 25.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 25.0 111.241 175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.424 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 25.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 25.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 25.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 25.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 25.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 25.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 25.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 25.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 25.0 112.551 -176.084 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 25.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 25.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 25.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 25.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 25.0 106.012 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 25.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 25.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 25.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 25.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 25.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 25.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 25.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 25.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 25.0 111.225 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 25.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 25.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 25.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 25.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 25.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 25.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 25.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 25.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 25.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 25.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 25.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 25.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 25.0 109.804 -178.533 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 25.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 25.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 25.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 25.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 25.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 25.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 25.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 25.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 25.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 25.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 25.0 110.848 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 25.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 25.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 25.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 25.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 25.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 25.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 25.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 25.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 25.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 25.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 25.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 25.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 25.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 176.435 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 25.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 25.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 25.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 25.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 25.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 25.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 25.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 25.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 25.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 25.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 25.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 25.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 25.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 25.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 25.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 25.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 25.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 25.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 25.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 25.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 25.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.214 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 25.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 25.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 25.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 25.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 25.0 111.789 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 25.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 25.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 25.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 25.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 25.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 25.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 25.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 25.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 25.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 25.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 25.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 25.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 25.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 25.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 25.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 25.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 25.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 25.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 25.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 25.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 25.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 25.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 25.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 25.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 25.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 25.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 25.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 25.0 109.081 179.838 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 25.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 25.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 25.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 25.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 25.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 25.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 25.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 25.0 110.734 -177.299 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 25.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 25.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 25.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 25.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 25.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 25.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 25.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 25.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 25.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 25.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 25.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 25.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 25.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 25.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 25.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 25.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 25.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 25.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 25.0 109.713 178.825 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 25.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 25.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 25.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 25.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 25.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 25.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 178.227 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 25.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 25.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 25.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 25.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 25.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 25.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 25.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 25.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 25.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 25.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 25.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 25.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 25.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 25.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 25.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 25.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 25.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 25.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 25.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 176.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 25.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 25.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 25.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 25.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 25.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 25.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 25.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 25.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 25.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 25.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 25.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 25.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 25.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 25.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 25.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 25.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 25.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 25.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 179.165 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 25.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 25.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 25.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 25.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 25.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 25.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 25.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 25.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 25.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 25.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 25.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 25.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 25.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 25.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 25.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 25.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 25.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 25.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 25.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 25.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 -178.506 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 25.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 25.0 109.552 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 25.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 25.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.46 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 25.0 107.873 178.48 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 25.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 25.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 25.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 25.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 25.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 25.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 25.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 25.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 25.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 25.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 25.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 25.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 25.0 110.717 174.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 25.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 25.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 25.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 25.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 25.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 25.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 25.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 25.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 25.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 25.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 25.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 25.0 107.696 176.988 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 25.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 25.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.578 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 25.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 25.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 25.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 25.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 25.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 25.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 25.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 25.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 25.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 25.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 25.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.4 t30 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 25.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 25.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 25.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 25.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 25.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 25.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 25.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 25.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 25.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 25.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 25.0 110.095 178.048 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 100' ' ' HIS . . . . . 0.464 ' CD2' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 . . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 25.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 25.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 25.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 25.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 25.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 25.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 100' ' ' HIS . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 25.0 108.936 -176.626 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 25.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 25.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 25.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 25.0 111.09 174.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 25.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 25.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 25.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 25.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 25.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 25.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 25.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 25.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 25.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 25.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.574 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.574 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 25.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 25.0 110.507 177.854 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 25.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 25.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 25.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 25.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 25.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 25.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.741 178.869 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 25.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 25.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 25.0 111.369 174.189 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 25.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 25.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 25.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 25.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 25.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 25.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 25.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 25.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 25.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 178.247 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 25.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 25.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 25.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 25.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 177.612 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 25.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 25.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 25.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 25.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 25.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 25.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 25.0 110.726 -177.499 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 25.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 25.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 25.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 25.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 25.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 25.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 25.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 25.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 25.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 25.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 25.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 25.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 25.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 25.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 25.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 25.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -171.189 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 25.0 109.231 -175.212 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 25.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 179.244 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 25.0 110.921 -178.318 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 25.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 25.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 25.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 25.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 25.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 178.914 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 25.0 109.511 160.074 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 25.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 25.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 25.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 25.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 25.0 109.593 173.692 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 25.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 25.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 25.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 25.0 110.816 175.607 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 25.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 25.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 25.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 25.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 25.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 25.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 25.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 25.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 176.062 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 25.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 25.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 25.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 25.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 25.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 25.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 25.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 175.893 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.8 t60 . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 25.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 25.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 25.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 25.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 25.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 25.0 110.63 -172.351 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 25.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 25.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 25.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 25.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 25.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 25.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 25.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 25.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 25.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 25.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 25.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 25.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 25.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 25.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 25.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 25.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.472 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 25.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 25.0 109.02 175.199 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 25.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 25.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 25.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 25.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 25.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 25.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 25.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 25.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 25.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 25.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 25.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 25.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 25.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 25.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 25.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 25.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 25.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 25.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 25.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 25.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 25.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 25.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 25.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 25.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 25.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 25.0 111.227 176.279 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 25.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 25.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 25.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 25.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 25.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 25.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 25.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 25.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 25.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 25.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 25.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 25.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 25.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 25.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 25.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 25.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 25.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 25.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 25.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 25.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 25.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 25.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 25.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 25.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 25.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 25.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 25.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 25.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 25.0 108.101 178.968 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 25.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 25.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 25.0 111.693 -173.438 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 25.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 25.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 25.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 25.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 25.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 25.0 108.49 159.956 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 25.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 25.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 25.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 25.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 25.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 25.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 25.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 25.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 25.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 25.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 25.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 25.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 25.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 25.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 25.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 25.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 25.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 25.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 25.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 25.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.565 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.565 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 25.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 25.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 25.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 25.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 25.0 111.451 177.612 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 25.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 25.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 25.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 25.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.436 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -178.39 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 25.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 25.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 25.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 25.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 25.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 25.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 25.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 25.0 110.944 176.383 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 25.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 25.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 25.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 25.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 25.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 25.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 25.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 25.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 159' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 25.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 25.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 25.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 25.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 25.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 25.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 25.0 114.254 -175.175 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 25.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 25.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.462 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 25.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 25.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 25.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 25.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 25.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 25.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 25.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 25.0 111.069 175.864 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 25.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 25.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 25.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 25.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 25.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 25.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 25.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 25.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 25.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 25.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 25.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 25.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 174' ' ' ARG . . . . . 0.523 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 25.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 25.0 110.785 176.969 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 25.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 25.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 25.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 25.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 25.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 -179.351 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 25.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 25.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 25.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 25.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 25.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 25.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 25.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 25.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 25.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 25.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 25.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 25.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 25.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 25.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 25.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 25.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 25.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 25.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 25.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 25.0 111.389 -176.341 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 . . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 25.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 25.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 25.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 25.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 25.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 25.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 25.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 25.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 25.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 25.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 25.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 25.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 25.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 25.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 25.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 25.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 25.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 25.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 25.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 25.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 25.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 25.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 25.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 25.0 106.444 176.441 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 25.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 25.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 25.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 25.0 108.746 159.942 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 25.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 25.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 25.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 25.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 25.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 25.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 25.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 25.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 25.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 25.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 25.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 25.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 25.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 25.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 25.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 25.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 25.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 25.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 25.0 110.925 -178.697 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 . . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 25.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 25.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 25.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 25.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 25.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 25.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 25.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.043 -175.863 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 25.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 25.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 25.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 25.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 25.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.015 -174.563 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 25.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 25.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 25.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 25.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 25.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 25.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 166' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 168' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 25.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 25.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 175' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 25.0 111.371 -178.843 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 . . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 25.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 25.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 25.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 25.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 25.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 25.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 178.054 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 25.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 25.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 25.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 25.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 25.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 25.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 25.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 25.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 25.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 25.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 25.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 25.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 25.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 25.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 25.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 25.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 25.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 25.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 25.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 25.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 178.677 . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.386 0.612 . . . . 25.0 110.96 . . . . . . . . . 0 0 . 1 . 042 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 25.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 25.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 25.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 25.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 -179.16 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 25.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 25.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 25.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 25.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 25.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 25.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 25.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.487 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 133' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 25.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 25.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 25.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 25.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 25.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 25.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 25.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 25.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 25.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 25.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 25.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 25.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 173' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 25.0 112.164 -179.431 . . . . . . . . 0 0 . 1 . 043 nuclear build core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 . . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 25.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 25.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 25.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 25.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 25.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 25.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 25.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 25.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 25.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 25.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 25.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 25.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 25.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 25.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 25.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 25.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 25.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 25.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 25.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 25.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 25.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 25.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 25.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 25.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 25.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 25.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 25.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 25.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 25.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 25.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear build core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 25.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 25.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear build core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 25.0 109.03 176.544 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 115.804 1.779 . . . . 25.0 115.804 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -95.22 128.07 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -126.29 151.57 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.6 -177.64 39.41 Favored Glycine 0 C--O 1.218 -0.86 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.83 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -77.94 -3.77 43.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -113.12 132.89 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 177.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 25.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 25.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 25.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 25.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 25.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 25.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 25.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 25.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 25.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 25.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 25.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 25.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 25.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 25.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 25.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 25.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 25.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 25.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 25.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 25.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 25.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 25.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 25.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 25.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 25.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 25.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 25.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 25.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 25.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 25.0 110.539 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.42 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 25.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 25.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -81.95 144.26 23.78 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 25.0 114.267 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -80.62 -27.17 37.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.187 -1.007 . . . . 25.0 109.96 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.9 mt -115.75 138.04 47.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 106.696 -1.594 . . . . 25.0 106.696 -174.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 m -140.17 146.18 38.44 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -85.87 -26.19 25.78 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.15 0.976 . . . . 25.0 110.983 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 124.028 1.87 . . . . 25.0 111.069 -176.58 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 123.6 1.666 . . . . 25.0 112.409 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp 62.95 64.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 112.878 -1.964 . . . . 25.0 106.803 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -67.8 161.02 27.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.254 -1.794 . . . . 25.0 111.063 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.68 -149.95 25.55 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 109.311 -1.515 . . . . 25.0 109.311 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -79.34 49.23 0.96 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.683 0.754 . . . . 25.0 110.87 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -114.2 156.47 24.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.505 -0.77 . . . . 25.0 109.315 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 25.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 25.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 25.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 25.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 25.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 25.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 25.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 25.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 25.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 25.0 110.953 174.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 25.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 25.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 25.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 25.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 25.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 25.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 25.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 25.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 25.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 25.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 25.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 25.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 25.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 25.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 25.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -94.34 139.33 14.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 25.0 111.483 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.15 155.2 32.48 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 83.7 mt -82.39 122.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.8 t -142.5 111.65 6.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -106.47 138.83 41.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 25.0 110.292 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.212 -0.882 0 CA-C-O 124.955 2.312 . . . . 25.0 112.471 177.715 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 124.92 2.295 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.2 mm -98.71 127.37 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 112.506 -2.134 . . . . 25.0 107.084 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -119.05 159.48 23.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 25.0 111.734 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.61 -108.29 3.29 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.188 1.235 . . . . 25.0 116.188 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -67.75 -30.91 70.5 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.215 0.821 . . . . 25.0 113.215 -171.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -119.82 144.91 47.08 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 25.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 25.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 25.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 25.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 25.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 25.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 25.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 25.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 25.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 25.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.424 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 25.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 25.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 25.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 25.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 25.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 25.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 25.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 25.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 25.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 25.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 25.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 25.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 25.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 25.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 25.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -115.99 143.89 18.24 Favored Glycine 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 25.0 110.307 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -124.82 144.26 50.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.504 0.669 . . . . 25.0 111.427 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.3 mm -130.13 85.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.4 t -160.18 154.62 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.733 -0.839 . . . . 25.0 108.733 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -134.02 142.46 47.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.213 -0.819 0 CA-C-O 124.589 2.138 . . . . 25.0 112.744 -178.802 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 115.26 1.578 . . . . 25.0 115.26 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp 55.76 53.72 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 114.691 -1.141 . . . . 25.0 109.097 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -24.66 66.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.035 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.39 -6.16 46.33 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 121.226 -0.511 . . . . 25.0 113.584 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -82.5 -7.38 59.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 122.189 0.995 . . . . 25.0 109.154 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -136.07 162.53 32.64 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 174.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 25.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 25.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 25.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 25.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.428 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 25.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 25.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 25.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 25.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 25.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 25.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 25.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 25.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 25.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 25.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 25.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 25.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 25.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 25.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 25.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 25.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 25.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 25.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 25.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 25.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 25.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 25.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 25.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.59 145.77 16.05 Favored Glycine 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 25.0 108.619 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -121.35 150.09 41.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.591 0.71 . . . . 25.0 111.294 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.0 -43.98 24.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.228 -1.397 . . . . 25.0 107.228 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.5 p -162.55 -59.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -156.91 179.94 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 103.712 -2.699 . . . . 25.0 103.712 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.209 -1.046 0 CA-C-O 124.943 2.306 . . . . 25.0 111.394 171.521 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 124.982 2.325 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.5 mm -84.16 118.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 112.979 -1.919 . . . . 25.0 107.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.53 165.67 24.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.551 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.62 -46.84 3.15 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 117.32 1.688 . . . . 25.0 117.32 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -104.62 24.69 11.33 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.926 0.863 . . . . 25.0 112.635 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -119.79 145.43 46.6 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 25.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 25.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 25.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 25.0 106.326 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 25.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 25.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 25.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 25.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 25.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 25.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 25.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 25.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 25.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 25.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 25.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 25.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 25.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 25.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 25.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 25.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 25.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 25.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 25.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 25.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.37 144.98 16.09 Favored Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -129.07 161.37 30.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.415 -0.392 . . . . 25.0 110.019 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.55 116.11 23.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.319 -1.734 . . . . 25.0 106.319 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 51.1 p -73.25 143.5 47.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -136.28 143.36 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 124.236 1.97 . . . . 25.0 112.603 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.652 0.739 . . . . 25.0 112.81 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.72 163.76 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -135.15 140.74 45.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.935 -0.394 . . . . 25.0 109.935 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.47 40.8 2.33 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 119.689 -0.506 . . . . 25.0 112.162 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 52.8 37.0 22.85 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.496 0.718 . . . . 25.0 110.837 -174.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.94 148.72 30.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 25.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 25.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 25.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 25.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 25.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 25.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 25.0 107.135 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 25.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 25.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 25.0 108.564 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 25.0 110.969 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 25.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 25.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 25.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 25.0 110.902 175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 25.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 25.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 25.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 25.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 25.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 25.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 25.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 25.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 25.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 25.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 25.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 25.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 25.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 25.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.58 149.98 20.91 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 25.0 106.708 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -126.43 164.6 20.76 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.17 0.51 . . . . 25.0 110.952 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -86.28 134.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.6 m -129.37 141.49 51.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -135.28 154.84 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.921 2.296 . . . . 25.0 112.131 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 124.62 2.152 . . . . 25.0 112.688 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.9 mm -122.89 113.35 37.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.04 18.41 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 25.0 110.597 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.55 83.02 1.7 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-O 121.815 0.675 . . . . 25.0 111.517 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.2 153.94 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.867 -0.784 . . . . 25.0 110.757 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 153.05 21.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 172.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 25.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 25.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 25.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 25.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 25.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 25.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 25.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 25.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 25.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 25.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 25.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 25.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 25.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 25.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 25.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 25.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 25.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 62.6 t30 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 25.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 25.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 25.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 25.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 25.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 25.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 25.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 25.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 25.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 25.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 25.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.3 135.16 11.99 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 25.0 110.675 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -75.69 -36.49 60.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 173.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 79.0 mt -87.04 132.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 113.792 -1.549 . . . . 25.0 107.784 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 t -142.33 145.82 34.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 51.92 37.69 21.61 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.632 0.729 . . . . 25.0 112.501 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 124.882 1.273 . . . . 25.0 114.117 -178.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 122.732 1.254 . . . . 25.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.7 mm -29.82 116.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 112.885 -1.961 . . . . 25.0 113.971 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -97.23 175.32 6.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.007 -1.451 . . . . 25.0 107.525 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.64 58.04 0.4 Allowed Glycine 0 N--CA 1.461 0.334 0 C-N-CA 121.506 -0.378 . . . . 25.0 113.497 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -142.57 177.37 8.34 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 154.8 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 173.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 25.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 25.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 25.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 25.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 25.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 25.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 25.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 25.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 25.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 25.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 25.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 25.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 25.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 25.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 25.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 25.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 25.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 25.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 25.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.466 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 25.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 25.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -82.25 136.72 15.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 25.0 111.538 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -72.98 -34.54 66.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.394 -0.903 . . . . 25.0 110.663 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.08 86.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.796 -1.093 . . . . 25.0 108.142 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 43.2 p -109.19 -37.11 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.038 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 52.9 t30 58.89 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.657 1.694 . . . . 25.0 111.518 -177.807 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 123.817 1.77 . . . . 25.0 115.55 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.83 150.51 6.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.371 -2.085 . . . . 25.0 105.371 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.84 156.88 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.625 -0.83 . . . . 25.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.82 69.45 0.02 OUTLIER Glycine 0 C--O 1.222 -0.64 0 N-CA-C 107.206 -2.358 . . . . 25.0 107.206 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -62.78 102.59 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.109 0.481 . . . . 25.0 111.813 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -132.08 156.39 46.4 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 25.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 25.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 25.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 25.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 25.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 25.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 25.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 25.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 25.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 25.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 25.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 16.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 25.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 25.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 25.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 25.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 25.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 25.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 25.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 25.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 25.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 25.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 25.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 25.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 25.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.23 144.72 17.41 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -127.83 156.5 42.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -88.18 115.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 25.0 110.351 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.2 m -78.1 144.08 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 48.81 69.45 0.57 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 126.643 3.116 . . . . 25.0 114.01 174.958 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 N--CA 1.502 2.162 0 CA-C-O 123.692 1.71 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.6 120.5 19.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 114.263 -1.335 . . . . 25.0 109.224 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.85 176.18 5.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.111 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -160.22 29.93 Favored Glycine 0 C--O 1.23 -0.101 0 C-N-CA 120.754 -0.736 . . . . 25.0 113.474 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 59.19 -126.23 1.29 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.233 1.013 . . . . 25.0 112.085 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -96.31 153.22 17.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 25.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 25.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 25.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 25.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 25.0 110.134 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 25.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 25.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 25.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 25.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 25.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 25.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 25.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 25.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 25.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 92.2 m-70 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 25.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 25.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 25.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 25.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 25.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 25.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 25.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 25.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 25.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 25.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 25.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.453 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 25.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -87.8 144.62 18.95 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -82.5 -96.81 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.734 0.778 . . . . 25.0 110.887 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.74 131.16 34.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.376 -1.713 . . . . 25.0 106.376 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 74.4 p -134.76 162.5 32.17 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -139.52 -40.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.636 0.732 . . . . 25.0 111.653 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 114.825 1.417 . . . . 25.0 114.825 -179.399 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.91 77.78 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -122.73 157.95 31.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.054 -0.976 . . . . 25.0 111.105 -169.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.06 -121.98 2.11 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 108.469 -1.852 . . . . 25.0 108.469 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -65.91 -18.82 65.6 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.572 -0.37 . . . . 25.0 111.068 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 143.0 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 25.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 25.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 25.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 25.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 25.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 25.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 25.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 25.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 25.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 25.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 25.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 25.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 25.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 25.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 25.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 25.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 25.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 25.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 25.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 25.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 25.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 25.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 25.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 25.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.28 146.17 18.64 Favored Glycine 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 25.0 111.482 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -72.68 131.79 42.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.46 126.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 75.6 p -153.25 170.35 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -157.81 -57.26 0.08 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.881 0.848 . . . . 25.0 110.939 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.33 2.014 . . . . 25.0 110.966 178.151 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.4 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.688 0.756 . . . . 25.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.94 142.77 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.054 -1.832 . . . . 25.0 106.054 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.53 137.72 52.38 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.24 3.1 66.19 Favored Glycine 0 C--O 1.217 -0.929 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.437 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.56 8.92 22.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 141.77 46.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 25.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 25.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 25.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 25.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 25.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 25.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 25.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 25.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 25.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 25.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.4 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 25.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 25.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 25.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 25.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 25.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 25.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 25.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 25.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 25.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 25.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 25.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 25.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 25.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 25.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 25.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 25.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 25.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 25.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 25.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.06 145.58 15.94 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -123.07 155.93 35.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 66.9 mt -114.85 95.18 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.972 -1.122 . . . . 25.0 107.972 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.7 m -78.79 42.79 0.47 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -96.13 136.45 36.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.582 . . . . 25.0 111.015 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.215 -0.719 0 CA-C-O 124.847 2.26 . . . . 25.0 112.317 176.775 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.5 mm -115.94 116.99 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.425 -1.695 . . . . 25.0 106.425 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -131.06 166.62 20.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.667 -1.235 . . . . 25.0 107.667 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.26 11.37 72.55 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 107.948 -2.061 . . . . 25.0 107.948 -171.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.67 153.8 42.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.204 -0.998 . . . . 25.0 111.219 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -83.63 153.05 24.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.501 -0.772 . . . . 25.0 109.848 175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 25.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 25.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 25.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 25.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 25.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 25.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 25.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 25.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 25.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 25.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 25.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 130' ' ' ALA . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 25.0 110.333 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 25.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 25.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 25.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 25.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 25.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 25.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 25.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 25.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 25.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 25.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 25.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 25.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 25.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 25.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.96 144.44 15.82 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 25.0 112.085 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -127.83 158.0 38.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.04 -0.58 . . . . 25.0 110.435 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.48 109.91 24.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 11.8 p -62.9 -34.15 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.492 0.663 . . . . 25.0 111.011 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -95.1 73.43 3.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.641 0.734 . . . . 25.0 109.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 124.827 2.251 . . . . 25.0 111.809 179.39 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 122.278 1.037 . . . . 25.0 113.588 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -102.94 163.48 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.397 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -72.34 164.45 26.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.69 -140.72 5.67 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 110.064 -1.214 . . . . 25.0 110.064 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -77.01 16.68 0.52 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.691 0.745 . . . . 25.0 112.646 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 174.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 25.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 25.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.399 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 25.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 25.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 25.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 25.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 25.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 25.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 25.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 25.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 25.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 25.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 25.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 25.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 25.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 25.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 25.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 25.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 25.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 25.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 25.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 25.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 25.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 25.0 109.171 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 25.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 25.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 25.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 25.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 25.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.46 141.09 15.98 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 25.0 113.054 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -76.81 135.35 38.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.7 mm -80.16 132.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.168 -1.789 . . . . 25.0 106.168 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.8 m -128.3 148.19 50.65 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -140.27 128.69 22.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 125.834 2.731 . . . . 25.0 113.825 -177.956 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.5 p80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 125.281 2.467 . . . . 25.0 113.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 mt -84.68 137.59 20.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 113.526 -1.67 . . . . 25.0 106.597 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -129.99 79.21 1.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.508 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.13 33.54 85.61 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.958 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -117.43 178.64 4.31 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.381 -0.482 . . . . 25.0 110.895 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 155.33 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 25.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 25.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 25.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 25.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.415 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 25.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 25.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 25.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 25.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 25.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 25.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 25.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 25.0 111.261 175.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 25.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 25.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 25.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 25.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 25.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 25.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 25.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 25.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 25.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 25.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 25.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.98 154.3 16.59 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.82 157.84 33.87 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.78 117.11 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 174.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.6 p -137.48 23.97 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.895 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 55.5 33.99 22.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.081 0.944 . . . . 25.0 111.451 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.039 1.876 . . . . 25.0 114.258 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 123.677 1.703 . . . . 25.0 115.378 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.3 mm -123.82 130.19 74.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 104.431 -2.433 . . . . 25.0 104.431 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.95 156.7 19.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 25.0 109.554 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.52 -9.34 21.58 Favored Glycine 0 C--O 1.221 -0.708 0 C-N-CA 121.584 -0.341 . . . . 25.0 112.82 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -80.8 4.23 19.79 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.63 144.08 51.02 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 25.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 25.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.657 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 25.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 25.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 25.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 25.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 25.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 25.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 25.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 25.0 111.241 175.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.424 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 25.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 25.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 25.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 25.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 25.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 25.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 25.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 25.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.82 147.17 16.39 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 25.0 112.551 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.76 153.33 22.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.13 115.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 34.5 t -60.44 -32.22 71.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 59.0 t30 45.12 64.74 1.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 123.727 1.727 . . . . 25.0 113.468 177.26 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.3 m80 . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 122.034 0.921 . . . . 25.0 112.795 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.98 131.97 20.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 104.026 -2.583 . . . . 25.0 104.026 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -136.69 -166.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.032 -168.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.43 -176.76 45.34 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.612 0.605 . . . . 25.0 114.612 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -76.52 81.08 3.21 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.242 0.544 . . . . 25.0 111.325 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -131.47 158.05 41.87 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 25.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 25.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 25.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 25.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 25.0 106.012 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 25.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 25.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 25.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 25.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 25.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 25.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 25.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 25.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 25.0 111.225 175.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 25.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 25.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 25.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 25.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 25.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 25.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 25.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 25.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 25.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 25.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 25.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 25.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.06 140.2 14.87 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 25.0 109.804 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.56 -27.03 61.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.273 0.558 . . . . 25.0 111.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.85 89.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.284 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 16.5 m -108.73 7.73 26.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 -173.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -137.49 142.03 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.583 . . . . 25.0 110.912 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 124.951 2.31 . . . . 25.0 110.768 177.172 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 123.273 1.511 . . . . 25.0 114.662 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.74 159.5 43.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 106.288 -1.745 . . . . 25.0 106.288 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -90.92 132.35 35.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.64 0.257 . . . . 25.0 110.8 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.74 164.05 20.42 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.106 -0.569 . . . . 25.0 111.74 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -88.31 5.27 42.7 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.222 0.534 . . . . 25.0 111.519 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 143.34 45.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -175.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 25.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 25.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 25.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 25.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 25.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 25.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 25.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 25.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 25.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 25.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 25.0 110.848 175.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 25.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 25.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 25.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 25.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 25.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 25.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 25.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 25.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 25.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 25.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 25.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 25.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 25.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.19 146.63 16.43 Favored Glycine 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -71.15 129.05 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.13 -32.93 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.0 m 55.87 -100.82 0.12 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -157.36 168.83 26.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 123.534 1.635 . . . . 25.0 111.205 177.918 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 124.379 2.037 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm 56.25 49.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 112.471 -2.149 . . . . 25.0 106.712 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.84 17.37 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.421 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.94 -132.54 15.57 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.403 -1.079 . . . . 25.0 110.403 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 63.39 -59.88 0.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.985 1.714 . . . . 25.0 114.792 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 137.89 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 25.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 25.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 25.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 25.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 25.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 25.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 25.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 25.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 25.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 25.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 25.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 25.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 25.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 25.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 25.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 25.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 65.2 t30 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 25.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 25.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 25.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 25.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 25.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.214 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 25.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 25.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 25.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 25.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 145.24 17.52 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 25.0 111.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -86.22 166.37 15.76 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.3 128.85 64.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 t -147.85 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -86.5 69.95 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.292 1.044 . . . . 25.0 109.737 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 124.839 2.257 . . . . 25.0 111.022 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 121.631 0.729 . . . . 25.0 112.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -121.49 161.59 21.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-O 121.241 0.543 . . . . 25.0 109.965 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 9.9 pt-20 -79.77 147.98 31.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.21 -0.905 . . . . 25.0 108.894 176.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.43 39.43 Favored Glycine 0 C--O 1.227 -0.339 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 64.49 -63.42 0.17 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 116.636 2.088 . . . . 25.0 116.636 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.37 146.65 30.72 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 25.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 25.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 25.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 25.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 25.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 25.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 25.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 25.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 25.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 25.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 25.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 25.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 25.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 25.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 25.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 25.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 25.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 25.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 25.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 25.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 25.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 25.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 25.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 25.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 25.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 25.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 25.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.32 146.69 16.96 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 25.0 109.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -122.4 161.88 22.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.47 . . . . 25.0 110.171 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.97 111.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.915 -1.142 . . . . 25.0 107.915 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 42.8 t -149.43 113.43 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.012 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 45.7 47.12 11.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.651 0.781 . . . . 25.0 113.093 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.221 1.486 . . . . 25.0 111.464 -179.877 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 123.788 1.756 . . . . 25.0 113.827 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.1 pt -130.52 157.21 42.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-N 113.304 -1.771 . . . . 25.0 107.874 178.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.74 167.22 14.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 178.052 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.97 -140.42 2.94 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.008 -0.837 . . . . 25.0 111.008 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.51 21.77 8.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.058 0.943 . . . . 25.0 113.394 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -108.09 142.77 37.78 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 175.526 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 25.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 25.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 25.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 25.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 25.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 25.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 25.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 25.0 110.734 -177.299 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 25.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 25.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 25.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 25.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 25.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 25.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 25.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 25.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 25.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 25.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 25.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 25.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 25.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 25.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 25.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 25.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 25.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 25.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.66 146.5 18.17 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 25.0 109.713 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.17 -41.81 69.91 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 176.271 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 37.3 mm -128.28 138.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.0 p -150.83 152.42 33.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.338 -1.727 . . . . 25.0 106.338 176.341 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -139.44 20.98 2.56 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -176.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.64 2.162 . . . . 25.0 111.311 -176.782 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 123.042 1.401 . . . . 25.0 114.486 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.7 mm -102.42 133.71 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.75 169.34 17.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.131 0.491 . . . . 25.0 111.721 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.44 -112.86 3.67 Favored Glycine 0 N--CA 1.455 -0.08 0 C-N-CA 121.143 -0.551 . . . . 25.0 112.758 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 56.07 -106.97 0.36 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.67 0.788 . . . . 25.0 112.119 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 146.24 44.58 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 25.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 25.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 25.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 25.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 25.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 25.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 178.227 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 25.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 25.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 25.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 25.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 25.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 25.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 25.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 25.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 25.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 25.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 25.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 25.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 25.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 25.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 25.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 25.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 25.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 25.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 25.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -110.72 144.73 17.28 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 176.431 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.79 -33.75 71.06 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.116 0.96 . . . . 25.0 108.789 175.643 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.1 mp -82.54 129.98 36.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.195 -1.366 . . . . 25.0 108.222 -179.392 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.4 p -136.17 163.1 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 50.06 40.12 20.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 122.1 0.953 . . . . 25.0 112.439 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.216 -0.691 0 CA-C-O 124.628 2.156 . . . . 25.0 112.497 -179.033 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.3 m170 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.127 1.528 . . . . 25.0 115.127 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.43 131.56 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -112.94 175.79 5.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.202 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.56 36.94 32.16 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -176.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -119.41 160.93 21.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -172.235 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.57 143.35 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 163.811 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 25.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 25.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 25.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 25.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 25.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 25.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 25.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 25.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 25.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 25.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 25.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 25.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 25.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 25.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 25.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 25.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 25.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 25.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.91 151.1 17.23 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -69.47 128.21 35.73 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.46 117.64 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 m -139.77 149.11 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 62.58 178.2 0.14 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.417 1.087 . . . . 25.0 112.385 -179.275 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 124.288 1.994 . . . . 25.0 113.071 -179.432 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 123.129 1.443 . . . . 25.0 114.055 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.8 tt -75.54 144.59 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.936 -1.484 . . . . 25.0 110.493 -179.063 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -70.45 169.27 14.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.567 0.699 . . . . 25.0 111.034 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.92 -176.47 15.01 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 178.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 56.19 27.17 11.23 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -85.34 150.61 24.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 170.865 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 25.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 25.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 25.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 25.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 25.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 25.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 25.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 25.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 25.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 25.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 25.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 25.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 25.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 25.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 25.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 25.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 25.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 25.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 25.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 25.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 -178.506 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 25.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -178.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 25.0 109.552 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 25.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 25.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.46 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.25 152.17 18.41 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 25.0 107.873 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -68.52 117.46 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 174.869 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.44 -37.49 78.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.761 -176.91 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.3 t 53.61 33.77 17.18 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.626 0.972 . . . . 25.0 113.626 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -57.85 -34.55 69.84 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -178.084 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.557 1.646 . . . . 25.0 111.192 179.432 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.7 mt 73.92 154.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.277 1.831 . . . . 25.0 108.752 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 42.06 -99.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -177.187 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.96 -43.02 3.12 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -173.484 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.89 -33.42 73.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 175.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.3 140.37 52.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 170.422 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 25.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 25.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 25.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 25.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 25.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 25.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 25.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 25.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 25.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 25.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 25.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 25.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 25.0 110.717 174.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 25.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 25.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 25.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 25.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 25.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 25.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 25.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 25.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 25.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 25.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 25.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -90.48 144.89 17.7 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 25.0 107.696 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.79 -30.46 66.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.81 0.814 . . . . 25.0 108.844 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.46 79.41 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 177.087 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 54.7 m -157.75 165.26 35.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.79 152.43 31.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.502 0.668 . . . . 25.0 109.211 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 124.505 2.097 . . . . 25.0 110.031 172.522 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 . . . . . 0 N--CA 1.504 2.241 0 CA-C-O 124.233 1.968 . . . . 25.0 113.567 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 pt -82.6 149.34 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 114.075 -1.42 . . . . 25.0 108.283 175.39 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.31 136.49 54.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.7 -150.14 14.5 Favored Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.188 -1.006 . . . . 25.0 112.202 -175.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -70.4 -6.15 33.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -117.63 151.85 36.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 175.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 25.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 25.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.578 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 25.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 25.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 25.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 25.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 25.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 25.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 25.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 25.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 25.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 25.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 25.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 59.4 t30 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 25.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 25.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 25.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 25.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 25.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 25.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 25.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 25.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 25.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 25.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.7 148.16 16.42 Favored Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 25.0 110.095 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -129.62 163.42 26.09 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 122.96 0.504 . . . . 25.0 111.79 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 47.5 mm -103.09 112.16 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.522 -1.658 . . . . 25.0 106.522 175.42 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.8 p -109.15 6.23 24.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.213 0.53 . . . . 25.0 110.337 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -81.63 77.3 8.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.853 0.835 . . . . 25.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.777 2.227 . . . . 25.0 112.984 -177.418 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.3 m80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.251 0.548 . . . . 25.0 111.875 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -87.62 158.07 3.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 177.05 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -72.71 -35.48 67.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.851 0.834 . . . . 25.0 110.254 -177.947 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.76 -161.16 53.35 Favored Glycine 0 C--O 1.221 -0.683 0 CA-C-N 115.231 -0.895 . . . . 25.0 111.83 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -137.41 -4.43 1.86 Allowed 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 112.818 0.673 . . . . 25.0 112.818 178.028 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 147.49 50.56 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 -177.833 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 25.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 25.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 25.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 25.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 25.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 25.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 25.0 108.936 -176.626 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 25.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 25.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 25.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 25.0 111.09 174.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 25.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 25.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 25.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 25.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 25.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 25.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 25.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 25.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 25.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 25.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.574 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.574 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 25.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.74 144.95 29.54 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 25.0 110.507 177.854 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -69.22 144.38 53.71 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 175.518 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.04 90.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 106.522 -1.659 . . . . 25.0 106.522 177.847 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 m -143.83 42.65 1.46 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.75 0.42 . . . . 25.0 110.935 -174.572 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.72 126.9 36.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.53 1.532 . . . . 25.0 114.63 175.738 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 124.317 2.008 . . . . 25.0 114.577 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.46 124.96 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 161.49 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.648 0.737 . . . . 25.0 110.321 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.47 33.74 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -178.384 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 54.62 33.93 20.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.399 0.68 . . . . 25.0 112.249 -177.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 145.8 26.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -178.938 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 25.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 25.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 25.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 25.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 25.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 25.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.741 178.869 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 25.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 25.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 25.0 111.369 174.189 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 25.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 25.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 25.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 25.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 25.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 25.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 25.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 25.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 25.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 178.247 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 25.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 25.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 25.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 25.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.07 142.62 15.96 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 177.612 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.79 -28.57 63.71 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.133 0.968 . . . . 25.0 108.388 175.482 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.1 mm -121.72 138.59 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 113.816 -1.538 . . . . 25.0 107.424 -177.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.8 m -76.72 82.32 3.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 175.262 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.75 -24.18 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -174.842 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 123.258 1.504 . . . . 25.0 111.434 179.777 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 p-80 . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 122.62 1.2 . . . . 25.0 113.516 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.11 88.14 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 -176.809 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -98.29 13.24 32.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 25.0 111.111 -174.869 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.95 -103.05 0.92 Allowed Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.524 -0.762 . . . . 25.0 112.61 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -83.16 -14.31 53.75 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.908 -0.172 . . . . 25.0 111.09 -179.207 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.51 146.21 27.7 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.958 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 25.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 25.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 25.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 25.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 25.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 25.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 25.0 110.726 -177.499 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 25.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 25.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 25.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 25.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 25.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 25.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 25.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 25.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 25.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 25.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 25.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 25.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 25.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 25.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 25.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 25.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -171.189 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 25.0 109.231 -175.212 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 25.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.19 116.79 4.65 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 109.648 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 96.6 mt -131.37 126.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.1 m 61.47 178.03 0.12 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.155 0.982 . . . . 25.0 113.042 -176.95 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -120.35 26.31 9.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.005 0.907 . . . . 25.0 110.249 -177.545 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 123.856 1.789 . . . . 25.0 111.082 -176.954 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 124.22 1.962 . . . . 25.0 113.039 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.96 116.31 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 106.16 -1.792 . . . . 25.0 106.16 177.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -71.92 146.75 47.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 25.0 109.676 178.728 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.78 9.16 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -62.63 -17.8 61.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 178.522 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -118.72 142.09 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.791 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 25.0 110.921 -178.318 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 25.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 25.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 25.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 25.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 25.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 178.914 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 25.0 109.511 160.074 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 25.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 25.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 25.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 25.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 25.0 109.593 173.692 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 25.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 25.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 25.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 25.0 110.816 175.607 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 25.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 25.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 25.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 25.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 25.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 25.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 25.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 25.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 176.062 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 25.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 25.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 25.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 25.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 25.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 25.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 25.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -101.95 145.92 16.85 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 175.893 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.32 126.62 30.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.767 0.317 . . . . 25.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 49.1 mm -71.08 -37.06 65.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.567 -1.271 . . . . 25.0 107.567 175.43 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.7 t -81.99 109.15 16.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.46 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.46 138.29 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.554 0.692 . . . . 25.0 111.767 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 125.185 2.421 . . . . 25.0 112.368 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 124.268 1.985 . . . . 25.0 113.363 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 pt -77.14 167.89 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 113.256 -1.793 . . . . 25.0 109.926 177.451 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.28 156.52 34.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.316 0.579 . . . . 25.0 110.216 177.784 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.75 157.22 15.17 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.665 -179.152 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -108.28 13.03 26.02 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.385 0.674 . . . . 25.0 109.555 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -126.32 134.18 51.18 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 -179.535 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 25.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 25.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 25.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 25.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 25.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 25.0 110.63 -172.351 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 25.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 25.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 25.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 25.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 25.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 25.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 25.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 25.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 25.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 25.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 25.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 25.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 25.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 25.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 25.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 25.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.472 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 25.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.12 21.0 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 25.0 109.02 175.199 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.8 164.3 27.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.97 0.414 . . . . 25.0 110.827 177.717 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.52 127.17 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.86 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.2 m -84.93 152.94 23.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.326 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -124.31 31.34 5.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.992 0.901 . . . . 25.0 110.296 178.521 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.687 0 CA-C-O 124.331 2.015 . . . . 25.0 113.906 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p80 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.7 mt 72.99 131.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 126.592 1.957 . . . . 25.0 111.466 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 74.2 150.57 0.11 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 25.0 113.163 -177.845 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.63 65.36 0.31 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.866 -0.607 . . . . 25.0 113.879 -172.513 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -65.97 148.47 51.75 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.016 -0.697 . . . . 25.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 151.42 31.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.472 -0.785 . . . . 25.0 109.029 173.537 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 25.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 25.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 25.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 25.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 25.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 25.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 25.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 25.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 25.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 25.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 25.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 25.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 25.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 25.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 25.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 25.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 25.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 25.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 25.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 25.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 25.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 25.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 25.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 25.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 25.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -95.67 136.34 12.82 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 25.0 111.227 176.279 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.85 -47.18 9.26 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 175.298 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.8 mt -93.27 124.38 45.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 113.152 -1.84 . . . . 25.0 106.539 179.512 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 37.6 t -110.67 112.43 24.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 177.796 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -126.14 17.02 7.83 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.987 0.422 . . . . 25.0 110.837 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.206 -1.194 0 CA-C-O 122.396 1.094 . . . . 25.0 112.236 -174.552 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 123.515 1.626 . . . . 25.0 112.875 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.6 mm 62.93 47.63 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 -172.037 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 1.9 pm0 -70.05 170.22 11.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.15 -2.296 . . . . 25.0 110.058 -178.387 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.95 2.78 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 109.576 -1.41 . . . . 25.0 109.576 -175.68 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -69.9 -21.23 63.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 172.732 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.73 143.82 50.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 171.19 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 25.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 25.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 25.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 25.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 25.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 25.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 25.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 25.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 25.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 25.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 25.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 25.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 25.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 25.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 25.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 25.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 25.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 25.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 25.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 25.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 25.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 25.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 25.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 25.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 25.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 25.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 25.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 25.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.38 147.48 18.05 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 25.0 108.101 178.968 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -126.94 170.32 12.38 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.406 . . . . 25.0 109.997 178.823 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.41 97.28 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.9 p -71.2 145.48 49.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 175.092 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -134.45 140.37 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -178.96 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.206 -1.186 0 CA-C-O 124.183 1.944 . . . . 25.0 112.197 -178.998 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 124.168 1.937 . . . . 25.0 114.085 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -117.29 165.57 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 113.094 -1.867 . . . . 25.0 107.085 175.732 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -128.64 166.33 19.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 178.494 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.69 -158.36 20.51 Favored Glycine 0 C--O 1.221 -0.695 0 N-CA-C 108.829 -1.709 . . . . 25.0 108.829 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -77.05 3.5 12.24 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.272 0.536 . . . . 25.0 111.162 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -123.81 141.0 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 175.888 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 25.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 25.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 25.0 111.693 -173.438 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 25.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 25.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 25.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 25.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 25.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 25.0 108.49 159.956 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 25.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 25.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 25.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 25.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 25.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 25.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 25.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 25.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 25.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 25.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 25.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 25.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 25.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 25.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 25.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 25.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 25.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 25.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 25.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 25.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.565 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.565 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 25.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 25.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 25.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 25.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -107.29 146.19 16.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 25.0 111.451 177.612 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -80.58 -48.66 12.38 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 174.773 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.42 -36.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 112.992 -1.913 . . . . 25.0 107.578 -177.174 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 m -60.01 114.18 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.838 176.647 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -126.45 89.36 2.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.784 0.802 . . . . 25.0 109.323 -179.459 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.206 -1.201 0 CA-C-O 123.82 1.772 . . . . 25.0 112.388 -176.218 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 124.791 2.234 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 pt -141.86 163.47 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 112.442 -2.163 . . . . 25.0 107.131 178.44 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.31 157.84 36.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 175.849 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.42 -155.06 26.17 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.027 -1.229 . . . . 25.0 110.027 -177.69 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -80.04 36.97 0.36 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.792 0.664 . . . . 25.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -143.82 137.37 27.93 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 176.3 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 25.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 25.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 25.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 25.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.436 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -178.39 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 25.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 25.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 25.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 25.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 25.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 25.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 25.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 25.0 110.944 176.383 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 25.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 25.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 25.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 25.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 25.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 25.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 25.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 25.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 159' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 25.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 25.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 25.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 25.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 25.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 25.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -125.2 140.54 12.4 Favored Glycine 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 25.0 114.254 -175.175 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.04 -29.73 9.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.389 0.614 . . . . 25.0 110.319 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.15 86.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 176.247 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.9 m -141.19 158.52 43.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 -177.148 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 52.08 42.25 30.4 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.141 0.972 . . . . 25.0 112.318 -178.186 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 124.669 2.176 . . . . 25.0 112.446 179.409 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 m80 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.3 mm -119.62 117.74 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.13 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -138.97 160.44 39.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.43 176.51 23.34 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 114.054 0.381 . . . . 25.0 114.054 176.78 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -130.12 38.97 3.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.182 0.991 . . . . 25.0 109.515 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 149.02 44.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 177.486 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 25.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 25.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.462 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 25.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 25.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 25.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 25.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 25.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 25.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 25.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 25.0 111.069 175.864 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 25.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 25.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 25.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 25.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 25.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 25.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 25.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 25.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 25.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 25.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 25.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 25.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 174' ' ' ARG . . . . . 0.523 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 25.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.87 133.89 11.3 Favored Glycine 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 25.0 110.785 176.969 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.28 153.78 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 176.762 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.42 125.82 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.481 -1.674 . . . . 25.0 106.481 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 48.5 m -138.68 158.45 44.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -150.71 145.71 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 124.025 1.869 . . . . 25.0 113.69 179.309 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 124.613 2.149 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 mt 63.16 22.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 112.161 -2.29 . . . . 25.0 108.941 -179.23 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -135.36 133.82 39.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.091 -1.818 . . . . 25.0 106.091 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.79 0.05 38.58 Favored Glycine 0 C--O 1.22 -0.723 0 C-N-CA 120.828 -0.701 . . . . 25.0 114.559 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.38 -24.44 64.78 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.174 -0.603 . . . . 25.0 111.283 179.244 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 151.88 33.48 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -178.066 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 25.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 25.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 25.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 25.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 25.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 -179.351 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 25.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 25.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 25.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 25.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 25.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 25.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 25.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 25.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 25.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 25.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 25.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 25.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 25.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 25.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 25.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 25.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 25.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 25.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 25.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -114.78 147.81 18.88 Favored Glycine 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 25.0 111.389 -176.341 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -119.04 147.35 44.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 175.362 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.67 -60.01 2.6 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.57 20.26 2.05 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 177.084 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -92.26 94.43 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.749 0.785 . . . . 25.0 110.397 -178.912 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 124.726 2.203 . . . . 25.0 112.16 178.447 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 124.109 1.909 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -120.32 131.28 73.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 113.137 -1.847 . . . . 25.0 107.754 -178.567 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.07 173.84 11.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.745 -1.576 . . . . 25.0 106.745 177.735 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.93 -24.75 12.42 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 108.856 -1.698 . . . . 25.0 108.856 -176.517 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 49.76 44.77 24.95 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 171.231 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 148.29 23.89 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.764 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 25.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 25.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 25.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 25.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 25.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 25.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 25.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 25.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 25.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 25.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 25.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 25.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 25.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 25.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 25.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 25.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 25.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 25.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 25.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 25.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 25.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 25.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 25.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -97.5 148.43 18.95 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 25.0 106.444 176.441 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.54 126.23 26.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.187 0.517 . . . . 25.0 111.495 -179.924 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.97 113.5 20.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 176.73 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.1 t 53.16 50.6 17.39 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 178.296 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -51.61 114.01 1.14 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.229 0.538 . . . . 25.0 111.972 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.208 -1.117 0 CA-C-O 124.401 2.048 . . . . 25.0 112.421 -177.392 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 123.874 1.797 . . . . 25.0 113.331 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 108.71 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 106.541 -1.651 . . . . 25.0 106.541 177.807 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.85 168.9 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.893 -1.049 . . . . 25.0 113.483 -170.512 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.0 -68.6 3.5 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -176.763 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -68.91 -20.9 64.24 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.982 0.42 . . . . 25.0 110.698 177.321 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.99 136.21 50.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 169.074 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 25.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 25.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 25.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 25.0 108.746 159.942 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 25.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 25.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 25.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 25.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 25.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 25.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 25.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 25.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 25.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 25.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 25.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 25.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 25.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 25.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 25.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 25.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 25.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 25.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -109.87 145.89 17.02 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 25.0 110.925 -178.697 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -75.1 137.65 41.56 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 175.107 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 91.0 mt -72.28 126.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 104.852 -2.277 . . . . 25.0 104.852 173.377 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 47.6 t -135.99 148.38 48.41 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.855 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -114.52 15.69 17.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.76 0.79 . . . . 25.0 109.805 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 123.851 1.786 . . . . 25.0 112.07 -178.219 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.639 1.209 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -128.17 165.77 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 107.726 -1.212 . . . . 25.0 107.726 176.753 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 161.63 27.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.1 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.23 166.42 54.58 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 111.991 -0.444 . . . . 25.0 111.991 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -119.88 164.45 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.002 0.906 . . . . 25.0 113.204 -176.052 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 152.59 20.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 176.065 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 25.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 25.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 25.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 25.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 25.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 25.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 25.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.043 -175.863 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 25.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 25.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 25.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 25.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 25.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.015 -174.563 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 25.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 25.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 25.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 25.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 25.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 25.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 166' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 168' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 25.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 25.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 175' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -109.37 141.85 16.13 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 25.0 111.371 -178.843 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -72.94 -42.04 63.87 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.248 1.023 . . . . 25.0 108.588 175.526 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.56 -28.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 113.388 -1.733 . . . . 25.0 109.244 -176.917 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.5 t -80.08 92.39 5.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.776 179.431 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -137.73 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 176.436 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 124.008 1.861 . . . . 25.0 114.088 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 122.792 1.282 . . . . 25.0 114.029 . . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 mp 58.03 52.34 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.788 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.33 163.34 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.905 -1.498 . . . . 25.0 108.367 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.46 7.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 118.347 2.099 . . . . 25.0 118.347 -175.411 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -166.6 39.04 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.297 1.048 . . . . 25.0 113.007 -177.428 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 153.11 30.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 179.675 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 25.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 25.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 25.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 25.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 25.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 25.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 178.054 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 25.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 25.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 25.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 25.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 25.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 25.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 25.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 25.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 25.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 25.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 25.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 25.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 25.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 25.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 25.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 25.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 25.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 25.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 25.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 25.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.48 147.82 16.35 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 178.677 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.43 -32.15 3.91 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 176.613 . . . . . . . . 2 2 . 1 . 041 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.99 96.4 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 105.037 -2.209 . . . . 25.0 105.037 176.905 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.0 t 58.82 -157.11 0.32 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 -171.555 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 51.21 71.7 0.42 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.118 0.961 . . . . 25.0 111.409 179.127 . . . . . . . . 1 1 . 1 . 041 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.207 -1.162 0 CA-C-O 124.281 1.991 . . . . 25.0 113.515 -179.87 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.333 1.54 . . . . 25.0 114.061 . . . . . . . . . 0 0 . 1 . 042 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.49 49.83 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.712 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.3 -172.95 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -178.488 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.39 51.25 3.28 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-O 121.7 0.611 . . . . 25.0 113.357 -178.682 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -63.1 166.31 6.1 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.518 0.675 . . . . 25.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -92.05 158.85 16.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.96 175.425 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 25.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 25.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 25.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 25.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 -179.16 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 25.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 25.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 25.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 25.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 25.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 25.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 25.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.487 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 133' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 25.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 25.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 25.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 25.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 25.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 25.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 25.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 25.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 25.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 25.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 25.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 25.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 173' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.31 127.14 9.07 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 25.0 112.164 -179.431 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -92.61 -29.6 16.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.226 0.536 . . . . 25.0 110.24 176.538 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.23 -50.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.996 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 m 49.94 26.58 2.05 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.823 1.786 . . . . 25.0 115.823 178.907 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.3 118.31 9.8 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 121.667 -0.645 . . . . 25.0 109.824 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.37 1.868 . . . . 25.0 115.129 179.301 . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.205 -1.25 0 CA-C-O 122.475 1.131 . . . . 25.0 113.166 . . . . . . . . . 0 0 . 1 . 043 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.58 114.29 25.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 -177.565 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -73.48 160.75 31.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.187 0.595 . . . . 25.0 110.162 -179.855 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.62 -142.94 3.63 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 108.681 -1.768 . . . . 25.0 108.681 -178.327 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -81.26 32.88 0.34 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.245 1.022 . . . . 25.0 109.872 177.74 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.2 137.07 50.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 25.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 25.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 25.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 25.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 25.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 25.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 25.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 25.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 25.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 25.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 25.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 25.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 25.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 25.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 25.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 25.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 25.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 25.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 25.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 25.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 25.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 25.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 25.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 25.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 25.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 25.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 25.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 25.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 25.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 25.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear build full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 25.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 25.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.92 138.62 14.33 Favored Glycine 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 25.0 109.03 176.544 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.248 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.0 mm -119.91 -50.35 3.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 113.674 -1.603 . . . . 25.0 107.705 177.034 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.4 p -144.96 -17.01 0.51 Allowed 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 177.987 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -137.08 172.25 13.28 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 -175.072 . . . . . . . . 1 1 . 1 . 043 nuclear build full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 123.769 1.747 . . . . 25.0 113.22 -178.591 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 25.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 25.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 25.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 25.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 25.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 25.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 25.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 25.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 25.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 25.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 25.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 25.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 25.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 25.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 25.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 25.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 25.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 25.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 25.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 25.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 25.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 25.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 25.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 25.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 25.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 25.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 25.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 25.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 25.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 25.0 110.539 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.42 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 25.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 25.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 25.0 114.267 -174.684 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 . . . . . 0 CA--C 1.508 -0.668 0 N-CA-C 109.315 -0.624 . . . . 25.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 25.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 25.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 25.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 25.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 25.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 25.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 25.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 25.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 25.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.48 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.9 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 25.0 110.953 174.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 25.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 25.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 25.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 25.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 25.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 25.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 25.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 25.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 25.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 25.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 25.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 25.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 25.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 25.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 25.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 25.0 111.483 -177.572 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 . . . . . 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 25.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 25.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 25.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 25.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 25.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 25.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 25.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 25.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 25.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 25.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.424 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 25.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 25.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 25.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 25.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 25.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 25.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 25.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 25.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 25.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 25.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 25.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 25.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 25.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 25.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 25.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 25.0 110.307 179.563 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 . . . . . 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 25.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 25.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 25.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 25.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.428 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 25.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 25.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 25.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 25.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 25.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 25.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 25.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 25.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 25.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 25.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 25.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 25.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 25.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 25.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 25.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 25.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 25.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 25.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 25.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 25.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 25.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 25.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 25.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 25.0 108.619 178.895 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 m170 . . . . . 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 25.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 25.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 25.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 25.0 106.326 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 25.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 25.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 25.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 25.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 25.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 25.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 25.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 25.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 25.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 25.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 25.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 25.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 25.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 25.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 25.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 25.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 25.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 25.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 25.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 25.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 25.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 25.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 25.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 25.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 25.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 25.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 25.0 107.135 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 25.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 25.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 25.0 108.564 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 25.0 110.969 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 25.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 25.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.497 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 25.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 25.0 110.902 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 25.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 25.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 25.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 25.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 25.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 25.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 25.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 25.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 25.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 25.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 25.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 25.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 25.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 25.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 25.0 106.708 175.713 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 25.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 25.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 25.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 25.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 25.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 25.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 25.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 25.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 25.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 25.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 25.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 25.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 25.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 25.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 25.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 25.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 25.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 25.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 25.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 25.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 25.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 25.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 25.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 25.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 25.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 25.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 25.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 25.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 25.0 110.675 178.026 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.191 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 25.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 25.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 25.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 25.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 25.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 25.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 25.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 25.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 25.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 25.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 25.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 25.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 25.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 25.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 25.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 25.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 25.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 25.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 25.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.466 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 25.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 25.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 25.0 111.538 179.74 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m170 . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 25.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 25.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 25.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 25.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 25.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 25.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 25.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 25.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 25.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 25.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 25.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 25.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 25.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 25.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 25.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 25.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 25.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 25.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 25.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 25.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 25.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 25.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 25.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 25.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 178.327 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 . . . . . 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 25.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 25.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 25.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 25.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 25.0 110.134 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 25.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 25.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 25.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 25.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 25.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 25.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 25.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 25.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 25.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 25.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 25.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 25.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 25.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 25.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 25.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 25.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 25.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 25.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 25.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 25.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.453 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 25.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 176.873 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.515 -0.389 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 25.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 25.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 25.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 25.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 25.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 25.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 25.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 25.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 25.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 25.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 25.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 25.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 25.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 25.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 25.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 25.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 25.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 25.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 25.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 25.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 25.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 25.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 25.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 25.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 25.0 111.482 -178.24 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.551 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 25.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 25.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 25.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 25.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 25.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 25.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 25.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 25.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 25.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 25.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 25.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 25.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 25.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 25.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 25.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 25.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 25.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 25.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 25.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 25.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 25.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 25.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 25.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 25.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 25.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 25.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 25.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 25.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 25.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 178.266 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 . . . . . 0 CA--C 1.512 -0.488 0 CA-C-O 121.337 0.589 . . . . 25.0 109.848 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 25.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 25.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 25.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 25.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 25.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 25.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 25.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 25.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 25.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 25.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 25.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 130' ' ' ALA . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 25.0 110.333 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 25.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 25.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 25.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 25.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 25.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 25.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 25.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 25.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 25.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 25.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 25.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 25.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 25.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 25.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 25.0 112.085 -178.286 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.224 -0.279 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 25.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 25.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.399 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 25.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 25.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 25.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 25.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 25.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 25.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 25.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 25.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 25.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 25.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 25.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 25.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 25.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 25.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 25.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 25.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 25.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 25.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 25.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 25.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 25.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 25.0 109.171 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 25.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 25.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 25.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 25.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 25.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 25.0 113.054 -177.692 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.113 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 25.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 25.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 25.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 25.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.415 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 25.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 25.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 25.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 25.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 25.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 25.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 25.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.407 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 130' ' ' ALA . 34.9 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 25.0 111.261 175.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 25.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 25.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 25.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 25.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 25.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 25.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 25.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 25.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 25.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 25.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 25.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -176.727 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 25.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 25.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 25.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 25.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 25.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 25.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 25.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 25.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.508 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 25.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 25.0 111.241 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.424 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 25.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 25.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 25.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 25.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 25.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 25.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 25.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 25.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 25.0 112.551 -176.084 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 . . . . . 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 25.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 25.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 25.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 25.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 25.0 106.012 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 25.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 25.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 25.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 25.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 25.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 25.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 25.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.416 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 25.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.9 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 25.0 111.225 175.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 25.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 25.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 25.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 25.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 25.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 25.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 25.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 25.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 25.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 25.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 25.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 25.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 25.0 109.804 -178.533 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.452 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 25.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 25.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 25.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 25.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 25.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 25.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 25.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 25.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 25.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 25.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.8 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 25.0 110.848 175.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 25.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 25.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 25.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 25.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 25.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 25.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 25.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 25.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 25.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 25.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 25.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 25.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 25.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 176.435 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.542 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 25.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 25.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 25.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 25.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 25.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 25.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 25.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 25.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 25.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 25.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 25.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 25.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 25.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 25.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 25.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 25.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 25.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 25.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 25.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 25.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 25.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.214 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 25.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 25.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 25.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 25.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 25.0 111.789 -179.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.53 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 25.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 25.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 25.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 25.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 25.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 25.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 25.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 25.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 25.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 25.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 25.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 25.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 25.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 25.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 25.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 25.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 25.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 25.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 25.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 25.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 25.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 25.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 25.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 25.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 25.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 25.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 25.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 25.0 109.081 179.838 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 . . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 25.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 25.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 25.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 25.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 25.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 25.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 25.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 25.0 110.734 -177.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 25.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 25.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 25.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 25.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 25.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 25.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 25.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 25.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 25.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 25.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 25.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 25.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 25.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 25.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 25.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 25.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 25.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 25.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 25.0 109.713 178.825 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 25.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 25.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 25.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 25.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 25.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 25.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 178.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 25.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 25.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 25.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 25.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 25.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 25.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 25.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 25.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 25.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 25.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 25.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 25.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 25.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 25.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 25.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 25.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 25.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 25.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 25.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 176.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.234 0.25 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 25.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 25.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 25.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 25.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 25.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 25.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 25.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 25.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 25.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 25.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 25.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 25.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 25.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 25.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 25.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 25.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 25.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 25.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 179.165 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 . . . . . 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 25.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 25.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 25.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 25.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 25.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 25.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 25.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 25.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 25.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 25.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 25.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 25.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 25.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 25.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 25.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 25.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 25.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 25.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 25.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 25.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 -178.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 25.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 25.0 109.552 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 25.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 25.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.46 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 25.0 107.873 178.48 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 25.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 25.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 25.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 25.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 25.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 25.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 25.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 25.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 25.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 25.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 25.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.509 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 25.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.509 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.0 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 25.0 110.717 174.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 25.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 25.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 25.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 25.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 25.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 25.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 25.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 25.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 25.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 25.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 25.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 25.0 107.696 176.988 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 . . . . . 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 25.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 25.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.578 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 25.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 25.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 25.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 25.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 25.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 25.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 25.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 25.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 25.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 25.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 25.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 25.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 25.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 25.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 25.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 25.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 25.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 25.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 25.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 25.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 25.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 25.0 110.095 178.048 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 25.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 25.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 25.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 25.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 25.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 25.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 25.0 108.936 -176.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 25.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 25.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 25.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . 0.465 HG22 HE21 ' A' ' 133' ' ' GLN . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 178.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.465 HE21 HG22 ' A' ' 129' ' ' ILE . 74.8 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 25.0 111.09 174.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 25.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 25.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 25.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 25.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 25.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 25.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 25.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 25.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 25.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 25.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.574 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.574 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 25.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 25.0 110.507 177.854 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.517 -0.32 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 25.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 25.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 25.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 25.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 25.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 25.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.741 178.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 25.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 25.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 25.0 111.369 174.189 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 25.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 25.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 25.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 25.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 25.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 25.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 25.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 25.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 25.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 178.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 25.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 25.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 25.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 25.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 177.612 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 . . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 25.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 25.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 25.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 25.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 25.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 25.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 25.0 110.726 -177.499 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 25.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 25.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 25.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 25.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 25.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 25.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 25.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 25.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 25.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 25.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 25.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 25.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 25.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 25.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 25.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 25.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -171.189 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 25.0 109.231 -175.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 25.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 179.244 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 N--CA 1.462 0.14 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 25.0 110.921 -178.318 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 25.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 25.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 25.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 25.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 25.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 178.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 25.0 109.511 160.074 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 25.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 25.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 25.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 25.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 25.0 109.593 173.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 25.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 25.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 25.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 130' ' ' ALA . 29.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 25.0 110.816 175.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 25.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 25.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 25.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 25.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 25.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 25.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 25.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 25.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 176.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 25.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 25.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 25.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 25.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 25.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 25.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 25.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 175.893 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 118' ' ' GLU . 2.4 t-160 . . . . . 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 25.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 25.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 25.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 25.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 25.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 25.0 110.63 -172.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 25.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 25.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 25.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 25.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 25.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 25.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 25.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 25.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 25.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 25.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 25.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 25.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 25.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 25.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 25.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 25.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.472 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 25.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 25.0 109.02 175.199 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.521 -0.141 0 N-CA-C 109.029 -0.73 . . . . 25.0 109.029 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 25.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 25.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 25.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 25.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 25.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 25.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 25.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 25.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 25.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 25.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 25.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 25.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 25.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 25.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 25.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 25.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 25.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 25.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 25.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 25.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 25.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 25.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 25.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 25.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 25.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 25.0 111.227 176.279 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 25.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 25.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 25.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 25.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 25.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 25.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 25.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 25.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 25.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 25.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 25.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 25.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 25.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 25.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 25.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 25.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 25.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 25.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 25.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 25.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 25.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 25.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 25.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 25.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 25.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 25.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 25.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 25.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 25.0 108.101 178.968 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 CA--C 1.517 -0.324 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 25.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 25.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 25.0 111.693 -173.438 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 25.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 25.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 25.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 25.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 25.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 25.0 108.49 159.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 25.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 25.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 25.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 25.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 25.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 25.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 25.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 25.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 25.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 25.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 25.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 25.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 25.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 25.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 25.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 25.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 25.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 25.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 25.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 25.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.565 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.565 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 25.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 25.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 25.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 25.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 25.0 111.451 177.612 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 . . . . . 0 CA--C 1.514 -0.41 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 25.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 25.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 25.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 25.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.436 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -178.39 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 25.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 25.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 25.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 25.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 25.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 25.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 25.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.6 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 25.0 110.944 176.383 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 25.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 25.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 25.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 25.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 25.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 25.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 25.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 25.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 25.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 25.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 25.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 25.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 25.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 25.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 25.0 114.254 -175.175 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 25.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 25.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.462 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 25.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . 0.523 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 25.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 25.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 25.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 25.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 25.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 25.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 25.0 111.069 175.864 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 25.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 25.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 25.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 25.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 25.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 25.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 25.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 25.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 25.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 25.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 25.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 25.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . 0.523 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 25.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 25.0 110.785 176.969 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 25.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 25.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 25.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 25.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 25.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 -179.351 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 25.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 25.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 25.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 25.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 25.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 25.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 25.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 25.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 25.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 25.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 25.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 25.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 25.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 25.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 25.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 25.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 25.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 25.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 25.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 25.0 111.389 -176.341 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.513 -0.447 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 25.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 25.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 25.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 25.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 25.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 25.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 25.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 25.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 25.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 25.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 25.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 25.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 25.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 25.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 25.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 25.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 25.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 25.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 25.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 25.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 25.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 25.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 25.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 25.0 106.444 176.441 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 25.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 25.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 25.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 25.0 108.746 159.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 25.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 25.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 25.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 25.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 25.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 25.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 25.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 25.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 25.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 25.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 25.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 25.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 25.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 25.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 25.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 25.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 25.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 25.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 25.0 110.925 -178.697 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 25.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 25.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 25.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 25.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 25.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 25.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 25.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.043 -175.863 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 25.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 25.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 25.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 25.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 25.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . 0.408 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.015 -174.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 25.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 25.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 25.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 25.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 25.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 25.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 25.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 25.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . . . . . . 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 25.0 111.371 -178.843 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.548 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 . . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 25.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 25.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 25.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 25.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 25.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 25.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 178.054 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 25.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 25.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 25.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 25.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 25.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 25.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 25.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 25.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 25.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 25.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 25.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 25.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 25.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 25.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 25.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 25.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 25.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 25.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 25.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 25.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 178.677 . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 121.386 0.612 . . . . 25.0 110.96 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 25.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 25.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 25.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 25.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 -179.16 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 25.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 25.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 25.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 25.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 25.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 25.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 25.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.487 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 25.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 25.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 25.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 25.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 25.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 25.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 25.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 25.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 25.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 25.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 25.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 25.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 25.0 112.164 -179.431 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild core ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.243 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 . . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 25.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 25.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 25.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 25.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 25.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 25.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 25.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 25.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 25.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 25.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 25.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 25.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 25.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 25.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 25.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 25.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 25.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 25.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 25.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 25.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 25.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 25.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 25.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 25.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 25.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 25.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 25.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 25.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 25.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 25.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild core ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 25.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 25.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild core ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 25.0 109.03 176.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.8 m-70 . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 115.804 1.779 . . . . 25.0 115.804 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -95.22 128.07 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 -177.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -126.29 151.57 47.33 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.209 -1.034 . . . . 25.0 108.209 179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 163.6 -177.64 39.41 Favored Glycine 0 C--O 1.218 -0.86 0 C-N-CA 120.439 -0.886 . . . . 25.0 112.83 177.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 10.7 ptp85 -77.94 -3.77 43.53 Favored 'General case' 0 N--CA 1.473 0.722 0 N-CA-C 112.345 0.498 . . . . 25.0 112.345 178.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -113.12 132.89 55.27 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 102.546 -3.131 . . . . 25.0 102.546 177.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.8 ptt? -140.77 153.14 45.73 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.962 -1.125 . . . . 25.0 107.962 -170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -105.3 111.93 24.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.38 -0.97 . . . . 25.0 108.38 -175.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.6 mp -109.29 128.56 55.18 Favored 'General case' 0 CA--C 1.501 -0.907 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 -176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 21.3 m -92.2 134.87 34.47 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-N 114.95 -1.023 . . . . 25.0 109.715 -174.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 17.5 mm -113.79 135.54 53.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 108.844 -0.798 . . . . 25.0 108.844 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -140.04 141.54 36.27 Favored 'General case' 0 C--N 1.318 -0.783 0 O-C-N 121.794 -0.566 . . . . 25.0 112.065 177.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -95.49 104.08 15.98 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.062 0.458 . . . . 25.0 110.91 -176.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -22.04 62.23 Favored 'General case' 0 C--O 1.213 -0.842 0 CA-C-O 121.89 0.852 . . . . 25.0 111.608 179.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.74 -36.42 43.25 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 114.339 1.237 . . . . 25.0 114.339 -178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 60.8 p -118.06 -16.78 9.78 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.568 0.951 . . . . 25.0 113.568 -169.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.57 4.07 89.34 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.758 -0.537 . . . . 25.0 111.758 -175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -70.39 147.03 50.01 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.81 0.814 . . . . 25.0 110.066 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.9 mm -122.02 113.89 40.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -91.31 172.47 8.51 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 106.973 -1.491 . . . . 25.0 106.973 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.94 155.97 49.97 Favored Glycine 0 CA--C 1.494 -1.232 0 C-N-CA 120.637 -0.792 . . . . 25.0 114.446 -171.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_exo -66.31 116.87 4.27 Favored 'Trans proline' 0 N--CA 1.457 -0.667 1 C-N-CA 112.638 -4.441 . . . . 25.0 107.149 160.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.0 pt -94.61 136.18 26.64 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.716 -1.129 . . . . 25.0 108.875 -177.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -83.43 104.19 13.38 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 122.833 1.302 . . . . 25.0 109.658 -174.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -125.46 167.41 19.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 114.723 -1.126 . . . . 25.0 108.889 -175.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.2 m -110.09 155.73 21.49 Favored 'General case' 0 C--N 1.321 -0.671 0 O-C-N 121.867 -0.521 . . . . 25.0 112.224 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -60.48 -27.07 67.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.687 0.756 . . . . 25.0 109.257 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -88.29 -1.64 58.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.989 -1.005 . . . . 25.0 111.444 -174.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.4 ttt -74.84 138.44 42.53 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.7 154.21 36.62 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.094 -1.076 . . . . 25.0 108.094 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.67 -40.02 86.4 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.501 -0.925 . . . . 25.0 108.501 175.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.6 p -64.41 -34.48 78.28 Favored 'General case' 0 N--CA 1.445 -0.696 0 CA-C-N 115.629 -0.714 . . . . 25.0 111.167 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.82 -33.02 52.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.338 0.113 . . . . 25.0 110.91 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 tp -60.48 -46.36 90.38 Favored 'General case' 0 C--O 1.221 -0.414 0 N-CA-C 107.725 -1.213 . . . . 25.0 107.725 174.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 79.2 mt -64.97 -36.06 76.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 C-N-CA 120.669 -0.412 . . . . 25.0 110.196 179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.2 -38.93 77.71 Favored 'General case' 0 C--N 1.317 -0.815 0 O-C-N 121.941 -0.474 . . . . 25.0 110.779 177.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.2 tt -67.81 -42.92 80.79 Favored 'General case' 0 C--N 1.328 -0.341 0 O-C-N 121.906 -0.496 . . . . 25.0 109.991 175.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.08 -29.46 70.82 Favored 'General case' 0 C--O 1.219 -0.52 0 CA-C-N 116.71 -0.223 . . . . 25.0 111.255 -178.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -64.74 -37.83 88.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 122.22 -0.3 . . . . 25.0 111.341 175.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.52 17.93 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.629 0.603 . . . . 25.0 112.629 -178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 36.8 t0 -91.64 -52.56 4.7 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.624 0.726 . . . . 25.0 112.507 -172.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.1 m -84.74 -3.68 58.7 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 113.475 0.917 . . . . 25.0 113.475 -178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.84 25.42 73.08 Favored Glycine 0 CA--C 1.512 -0.146 0 C-N-CA 121.09 -0.576 . . . . 25.0 112.214 -178.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.1 t80 -65.6 141.25 58.49 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 122.14 -0.623 . . . . 25.0 111.423 -176.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -134.04 116.07 15.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.634 -1.247 . . . . 25.0 107.634 174.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -62.9 -12.1 22.88 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -178.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 82.6 p -90.2 -18.22 26.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.55 0.945 . . . . 25.0 113.55 176.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -115.88 -20.96 9.78 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-O 121.766 0.793 . . . . 25.0 110.91 -175.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -139.29 163.54 32.2 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 114.68 -1.145 . . . . 25.0 110.687 -173.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -129.56 151.7 49.89 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.035 -1.098 . . . . 25.0 108.035 177.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 63.1 tp -97.08 130.97 44.3 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 106.006 -1.85 . . . . 25.0 106.006 176.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -115.76 141.83 47.57 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 123.461 0.476 . . . . 25.0 111.285 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.91 137.48 31.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 105.349 -2.093 . . . . 25.0 105.349 173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 54.74 29.51 11.86 Favored 'General case' 0 C--O 1.213 -0.847 0 CA-C-O 121.669 0.747 . . . . 25.0 110.702 -176.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.4 mtp 63.18 16.88 9.75 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 114.508 1.299 . . . . 25.0 114.508 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -117.32 166.7 11.98 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 108.118 -1.067 . . . . 25.0 108.118 174.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 67.2 mt -86.01 126.75 40.58 Favored 'Isoleucine or valine' 0 C--O 1.241 0.61 0 CA-C-O 121.844 0.83 . . . . 25.0 112.437 -173.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.8 mt -90.16 102.58 15.3 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 107.046 -1.464 . . . . 25.0 107.046 170.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -56.69 128.68 37.65 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 115.848 -0.614 . . . . 25.0 110.117 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -68.71 -2.47 9.34 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -98.2 -1.65 41.59 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 122.272 0.229 . . . . 25.0 111.398 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -76.27 121.87 23.57 Favored 'General case' 0 C--O 1.205 -1.286 0 N-CA-C 108.449 -0.945 . . . . 25.0 108.449 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 46.8 p -94.41 19.13 10.01 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.465 -0.568 . . . . 25.0 109.465 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 -78.46 165.04 24.22 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.088 -0.708 . . . . 25.0 109.088 -177.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 1.6 m -91.75 160.18 15.47 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.648 -0.871 . . . . 25.0 108.648 179.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 44.0 mt -61.45 -29.36 69.9 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 121.127 0.489 . . . . 25.0 110.592 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -56.54 -39.91 74.2 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.056 0.942 . . . . 25.0 113.447 173.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -76.75 -23.24 52.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.06 0.457 . . . . 25.0 110.771 -176.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.1 mt -81.94 -12.34 58.43 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.639 0.733 . . . . 25.0 109.246 178.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.88 17.41 65.55 Favored Glycine 0 C--O 1.226 -0.371 0 CA-C-N 114.996 -1.002 . . . . 25.0 113.959 177.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.1 mt -73.05 144.42 47.12 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 112.928 0.714 . . . . 25.0 112.928 -175.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.42 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -135.62 173.62 11.52 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.501 -0.772 . . . . 25.0 110.539 179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.59 9.65 0.34 Allowed 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 115.717 1.747 . . . . 25.0 115.717 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.42 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 21.2 t0 -124.51 9.8 8.45 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 108.287 -1.005 . . . . 25.0 108.287 -174.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -97.07 149.48 21.9 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.359 1.244 . . . . 25.0 114.359 -176.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.8 tp -113.54 130.62 56.32 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.133 -1.394 . . . . 25.0 108.95 177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.67 139.87 46.76 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 106.952 -1.499 . . . . 25.0 106.952 178.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.6 mt -115.21 143.09 45.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.395 0.617 . . . . 25.0 112.194 -178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.8 mm -103.29 116.23 46.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 105.845 -1.909 . . . . 25.0 105.845 175.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -128.84 148.17 50.86 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.176 -0.675 . . . . 25.0 109.176 -175.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -81.95 144.26 23.78 Favored Glycine 0 N--CA 1.444 -0.775 0 CA-C-O 122.2 0.889 . . . . 25.0 114.267 -174.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.4 mtpp -80.62 -27.17 37.38 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 114.187 -1.007 . . . . 25.0 109.96 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.9 mt -115.75 138.04 47.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 106.696 -1.594 . . . . 25.0 106.696 -174.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 m -140.17 146.18 38.44 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.073 -1.084 . . . . 25.0 108.073 178.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -85.87 -26.19 25.78 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 122.15 0.976 . . . . 25.0 110.983 -178.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 11.6 m . . . . . 0 C--O 1.214 -0.783 0 CA-C-O 124.028 1.87 . . . . 25.0 111.069 -176.58 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.6 t-80 . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 123.6 1.666 . . . . 25.0 112.409 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.1 mp 62.95 64.51 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 CA-C-N 112.878 -1.964 . . . . 25.0 106.803 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 42.3 mp0 -67.8 161.02 27.1 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 113.254 -1.794 . . . . 25.0 111.063 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -92.68 -149.95 25.55 Favored Glycine 0 C--O 1.221 -0.665 0 N-CA-C 109.311 -1.515 . . . . 25.0 109.311 175.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 30.0 ptt180 -79.34 49.23 0.96 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.683 0.754 . . . . 25.0 110.87 175.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -114.2 156.47 24.22 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.505 -0.77 . . . . 25.0 109.315 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.7 ptt? -146.88 155.25 42.17 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 107.395 -1.335 . . . . 25.0 107.395 -178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -105.31 113.17 26.59 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.638 -0.875 . . . . 25.0 108.638 -177.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.3 mp -107.86 135.26 49.55 Favored 'General case' 0 CA--C 1.498 -1.056 0 N-CA-C 107.404 -1.332 . . . . 25.0 107.404 178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.3 m -99.72 137.1 38.66 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.558 -0.904 . . . . 25.0 108.558 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.8 mm -109.98 136.35 46.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.619 -1.252 . . . . 25.0 107.619 -176.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.3 m -142.26 139.76 32.02 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 121.687 -0.633 . . . . 25.0 112.252 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -87.38 122.56 31.28 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 114.941 1.459 . . . . 25.0 114.941 -177.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.01 -23.73 61.45 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.544 -0.298 . . . . 25.0 111.031 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -90.36 -44.09 9.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.942 0.719 . . . . 25.0 112.942 -175.213 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 63.8 p -102.1 -17.46 16.02 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.048 0.759 . . . . 25.0 113.048 -171.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 80.75 1.27 89.23 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 121.306 -0.473 . . . . 25.0 112.774 -177.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -68.83 136.05 52.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.369 -0.489 . . . . 25.0 110.686 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.9 mm -101.88 123.26 54.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 105.385 -2.08 . . . . 25.0 105.385 175.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -101.35 176.22 5.32 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.858 -1.534 . . . . 25.0 106.858 -179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.23 144.76 43.36 Favored Glycine 0 CA--C 1.494 -1.254 0 N-CA-C 119.044 2.378 . . . . 25.0 119.044 -167.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -72.78 121.27 7.22 Favored 'Trans proline' 0 CA--C 1.502 -1.084 1 C-N-CA 110.989 -5.54 . . . . 25.0 108.113 159.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.0 pt -105.21 143.8 15.9 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 CA-C-N 111.917 -2.401 . . . . 25.0 111.724 -175.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -86.83 106.84 18.0 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 106.68 -1.6 . . . . 25.0 106.68 -177.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.7 m -127.96 160.69 37.36 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 108.698 -0.853 . . . . 25.0 108.698 -178.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.6 t -102.83 150.68 23.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.387 -0.37 . . . . 25.0 110.766 -178.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 18.5 pt-20 -65.02 -21.86 66.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.147 0.499 . . . . 25.0 111.222 177.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -92.32 0.37 57.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.387 0.613 . . . . 25.0 111.808 -177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.8 ttt -70.15 139.08 52.35 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.51 154.25 34.78 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.577 -1.268 . . . . 25.0 107.577 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.9 tp -60.73 -37.1 80.62 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.464 -0.569 . . . . 25.0 109.464 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.9 p -61.94 -35.67 79.13 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.387 -0.369 . . . . 25.0 110.495 178.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -75.96 -37.88 58.14 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.568 -0.531 . . . . 25.0 109.568 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.26 -50.27 74.32 Favored 'General case' 0 C--O 1.217 -0.605 0 N-CA-C 108.604 -0.887 . . . . 25.0 108.604 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.6 mt -64.69 -31.65 54.62 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 C-N-CA 120.397 -0.521 . . . . 25.0 110.662 179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.48 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.73 -42.82 89.62 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 121.683 -0.635 . . . . 25.0 110.087 175.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.34 -43.79 80.66 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 110.023 -0.362 . . . . 25.0 110.023 176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt -64.14 -33.82 76.66 Favored 'General case' 0 C--O 1.218 -0.604 0 N-CA-C 112.535 0.569 . . . . 25.0 112.535 -177.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.48 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.9 mt-30 -65.79 -35.44 80.71 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 122.151 -0.343 . . . . 25.0 110.953 174.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.75 21.82 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.095 0.776 . . . . 25.0 113.095 -177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -95.98 -57.84 2.25 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 113.464 0.913 . . . . 25.0 113.464 -174.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.3 m -80.93 -5.61 57.67 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 112.576 0.584 . . . . 25.0 112.576 -175.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 24.11 70.95 Favored Glycine 0 C--O 1.236 0.236 0 C-N-CA 121.319 -0.467 . . . . 25.0 112.638 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -75.12 104.02 5.53 Favored 'General case' 0 C--O 1.216 -0.69 0 N-CA-C 107.481 -1.303 . . . . 25.0 107.481 -178.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -87.04 103.35 15.28 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 109.162 -0.681 . . . . 25.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -62.87 -9.46 9.74 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 114.67 1.359 . . . . 25.0 114.67 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 43.5 p -87.04 -21.8 25.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 121.433 -0.792 . . . . 25.0 112.523 175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.0 mttp -110.24 -16.55 13.73 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.573 0.701 . . . . 25.0 110.346 -179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -136.18 161.16 36.52 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.996 -1.002 . . . . 25.0 111.564 -172.032 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -124.09 151.0 44.38 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.573 -0.899 . . . . 25.0 108.573 177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -94.81 138.45 32.6 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 176.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -122.91 138.08 54.76 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.068 0.461 . . . . 25.0 111.367 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 61.2 t80 -145.47 136.65 24.85 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 106.701 -1.592 . . . . 25.0 106.701 175.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.5 t30 51.08 36.58 15.81 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.714 0.769 . . . . 25.0 111.341 -176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.03 16.55 7.15 Favored 'General case' 0 N--CA 1.476 0.869 0 N-CA-C 115.762 1.764 . . . . 25.0 115.762 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -119.67 163.14 17.84 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 175.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.4 mt -86.68 126.36 40.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.205 0.526 . . . . 25.0 110.858 -176.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 94.3 mt -82.75 102.47 11.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 172.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -63.06 113.38 3.08 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.659 -0.701 . . . . 25.0 110.133 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -63.43 -7.39 6.58 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 115.42 1.637 . . . . 25.0 115.42 -176.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 41.6 t30 -89.75 -5.83 56.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.653 0.263 . . . . 25.0 111.445 178.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -85.04 136.53 33.54 Favored 'General case' 0 C--O 1.22 -0.463 0 O-C-N 121.836 -0.54 . . . . 25.0 110.876 -179.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.35 31.75 3.58 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.78 -0.645 . . . . 25.0 111.713 178.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -73.41 164.8 26.17 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.5 p -97.17 164.34 12.54 Favored 'General case' 0 CA--C 1.502 -0.868 0 N-CA-C 106.647 -1.612 . . . . 25.0 106.647 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 24.0 mt -63.49 -30.31 71.45 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-O 120.697 0.284 . . . . 25.0 111.111 -176.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -57.08 -39.62 75.35 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 112.8 0.667 . . . . 25.0 112.8 174.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.2 mm-40 -71.6 -23.43 61.71 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.43 0.633 . . . . 25.0 110.896 -177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 51.9 mt -87.2 -10.06 53.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.413 -0.812 . . . . 25.0 109.512 -179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.23 15.04 72.92 Favored Glycine 0 C--O 1.228 -0.234 0 CA-C-N 115.365 -0.834 . . . . 25.0 112.549 177.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.8 mt -69.2 144.07 53.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.283 0.563 . . . . 25.0 112.102 -177.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 32.4 pttt -144.85 171.91 13.77 Favored 'General case' 0 C--O 1.216 -0.698 0 CA-C-N 115.07 -0.968 . . . . 25.0 110.057 -177.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -69.33 -1.56 8.56 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 116.082 1.882 . . . . 25.0 116.082 -176.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 46.7 m-20 -99.09 -1.06 40.47 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.486 -0.561 . . . . 25.0 109.486 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -88.85 147.0 24.62 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 115.856 1.798 . . . . 25.0 115.856 -168.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -121.91 130.28 53.22 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 113.479 -1.691 . . . . 25.0 107.45 175.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.73 140.98 42.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 -174.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.2 mt -105.77 143.2 34.25 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.422 0.527 . . . . 25.0 112.422 -177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 40.6 mm -106.13 117.91 52.76 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.558 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 177.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.02 155.6 30.02 Favored 'General case' 0 C--O 1.209 -1.061 0 CA-C-O 120.52 0.2 . . . . 25.0 111.354 -174.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -94.34 139.33 14.48 Favored Glycine 0 N--CA 1.445 -0.7 0 CA-C-O 122.118 0.844 . . . . 25.0 111.483 -177.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -77.15 155.2 32.48 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 83.7 mt -82.39 122.74 37.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 107.309 -1.367 . . . . 25.0 107.309 176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.8 t -142.5 111.65 6.5 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 107.557 -1.275 . . . . 25.0 107.557 178.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -106.47 138.83 41.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 25.0 110.292 -175.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.212 -0.882 0 CA-C-O 124.955 2.312 . . . . 25.0 112.471 177.715 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 47.7 p-80 . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 124.92 2.295 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.2 mm -98.71 127.37 51.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 112.506 -2.134 . . . . 25.0 107.084 179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -119.05 159.48 23.81 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.525 0.679 . . . . 25.0 111.734 -175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.61 -108.29 3.29 Favored Glycine 0 C--O 1.225 -0.46 0 N-CA-C 116.188 1.235 . . . . 25.0 116.188 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 63.5 mtt-85 -67.75 -30.91 70.5 Favored 'General case' 0 N--CA 1.47 0.547 0 N-CA-C 113.215 0.821 . . . . 25.0 113.215 -171.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 15.5 m170 -119.82 144.91 47.08 Favored 'General case' 0 CA--C 1.5 -0.957 0 N-CA-C 104.922 -2.251 . . . . 25.0 104.922 173.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -148.32 153.77 39.09 Favored 'General case' 0 C--N 1.315 -0.893 0 O-C-N 124.385 1.053 . . . . 25.0 109.041 -174.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -102.98 120.13 40.08 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 -175.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.5 mp -109.97 134.78 51.74 Favored 'General case' 0 CA--C 1.494 -1.205 0 N-CA-C 108.241 -1.022 . . . . 25.0 108.241 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -101.8 138.43 38.78 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.188 -1.041 . . . . 25.0 108.188 178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.2 mm -114.39 136.69 50.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 64.9 m -136.79 137.6 39.99 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.269 0.557 . . . . 25.0 111.341 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -98.39 103.13 15.05 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.111 0.481 . . . . 25.0 110.886 -174.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.49 -22.03 65.94 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.614 0.721 . . . . 25.0 111.405 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.9 mt -81.66 -36.61 28.6 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.496 1.295 . . . . 25.0 114.496 -177.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.0 p -115.56 -17.88 11.06 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 113.079 0.77 . . . . 25.0 113.079 -170.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.19 0.47 88.68 Favored Glycine 0 CA--C 1.519 0.339 0 C-N-CA 121.452 -0.404 . . . . 25.0 112.39 -176.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -70.53 141.7 51.88 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.799 -0.445 . . . . 25.0 109.799 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -113.53 120.79 64.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 104.448 -2.427 . . . . 25.0 104.448 174.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.424 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 10.3 m-85 -97.09 173.53 7.21 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.21 154.43 51.85 Favored Glycine 0 CA--C 1.495 -1.202 0 N-CA-C 117.862 1.905 . . . . 25.0 117.862 -168.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -71.94 120.44 6.85 Favored 'Trans proline' 0 CA--C 1.505 -0.966 1 C-N-CA 111.708 -5.062 . . . . 25.0 108.892 160.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -104.1 137.35 33.29 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.422 0 CA-C-N 112.364 -2.198 . . . . 25.0 110.628 -177.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -87.11 106.47 17.89 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.504 -1.226 . . . . 25.0 108.749 -174.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.4 m -122.71 168.8 14.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.349 -0.841 . . . . 25.0 109.687 -177.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.7 t -104.7 153.01 21.81 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 111.967 0.358 . . . . 25.0 111.967 -179.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -63.13 -25.74 68.5 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.267 0.556 . . . . 25.0 110.693 176.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -93.63 3.15 55.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.848 -0.615 . . . . 25.0 112.109 -174.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -69.88 142.44 53.01 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.4 149.21 38.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.076 -0.712 . . . . 25.0 109.076 176.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.63 -40.75 84.25 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.144 -0.687 . . . . 25.0 109.144 175.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.2 p -65.41 -33.74 76.67 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.34 -0.391 . . . . 25.0 110.889 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -77.65 -34.08 53.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.463 -0.335 . . . . 25.0 110.571 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -58.79 -47.39 84.92 Favored 'General case' 0 C--O 1.222 -0.381 0 N-CA-C 108.153 -1.054 . . . . 25.0 108.153 172.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.3 mt -63.98 -36.21 76.04 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.744 0 C-N-CA 120.637 -0.425 . . . . 25.0 110.457 179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.52 75.39 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 120.501 -0.48 . . . . 25.0 110.467 177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.29 -43.85 80.73 Favored 'General case' 0 N--CA 1.466 0.325 0 N-CA-C 109.908 -0.404 . . . . 25.0 109.908 175.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.8 mt -62.46 -31.82 72.6 Favored 'General case' 0 C--O 1.219 -0.534 0 CA-C-O 120.777 0.322 . . . . 25.0 111.63 -178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -72.03 -33.82 68.33 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 121.904 -0.497 . . . . 25.0 110.613 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.98 -41.09 37.15 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 112.729 0.64 . . . . 25.0 112.729 -178.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.57 -57.87 1.99 Allowed 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.333 0.864 . . . . 25.0 113.333 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.424 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.8 m -76.97 0.77 19.88 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 114.331 1.234 . . . . 25.0 114.331 -175.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.5 22.44 74.98 Favored Glycine 0 C--O 1.236 0.225 0 C-N-CA 121.092 -0.575 . . . . 25.0 113.315 178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -66.74 145.75 55.2 Favored 'General case' 0 N--CA 1.448 -0.537 0 O-C-N 121.98 -0.717 . . . . 25.0 110.223 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -130.77 104.25 7.06 Favored 'General case' 0 C--N 1.317 -0.819 0 N-CA-C 105.118 -2.178 . . . . 25.0 105.118 177.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.7 pttt -66.49 -9.37 33.84 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 121.464 -0.773 . . . . 25.0 112.924 -175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.0 p -88.06 -29.49 20.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 112.769 0.655 . . . . 25.0 112.769 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 71.4 mttt -107.22 -24.08 12.03 Favored 'General case' 0 N--CA 1.477 0.913 0 CA-C-O 121.648 0.737 . . . . 25.0 111.855 -175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -128.62 162.81 26.44 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.076 -0.965 . . . . 25.0 110.012 -169.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -124.99 148.76 48.29 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 52.3 tp -101.56 130.54 47.88 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 107.166 -1.42 . . . . 25.0 107.166 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -113.78 139.28 49.26 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.784 0.326 . . . . 25.0 110.365 -177.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -146.75 139.85 25.44 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 106.628 -1.619 . . . . 25.0 106.628 178.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 52.8 33.4 14.09 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.094 0.473 . . . . 25.0 111.529 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.0 mtp 65.26 17.14 10.89 Favored 'General case' 0 N--CA 1.478 0.965 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -130.08 170.52 13.9 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 108.957 -0.757 . . . . 25.0 108.957 176.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.4 mt -90.76 127.15 43.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.552 0 CA-C-O 121.674 0.749 . . . . 25.0 112.794 -174.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.5 mt -85.95 108.17 18.07 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.873 -1.158 . . . . 25.0 107.873 171.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -64.7 127.05 29.9 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 177.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.9 p -67.72 -7.03 23.83 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 115.444 1.646 . . . . 25.0 115.444 -172.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -100.22 1.1 41.55 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.876 0.325 . . . . 25.0 111.876 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 83.3 mtt-85 -71.83 115.73 11.37 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 108.849 -0.797 . . . . 25.0 108.849 177.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.34 32.04 0.72 Allowed 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.367 0.603 . . . . 25.0 112.18 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -83.01 167.73 17.63 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.787 -0.642 . . . . 25.0 109.461 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 7.4 m -97.27 159.62 14.81 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 177.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 69.4 mt -62.79 -29.93 71.08 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.074 0.464 . . . . 25.0 110.77 -178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -56.04 -38.76 71.02 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.001 0.741 . . . . 25.0 113.001 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -71.74 -28.17 63.48 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.016 0.436 . . . . 25.0 111.096 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.4 mt -79.1 -13.53 59.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.483 0.658 . . . . 25.0 109.412 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.03 17.26 78.65 Favored Glycine 0 C--O 1.239 0.407 0 CA-C-N 115.757 -0.656 . . . . 25.0 113.067 175.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.2 pp -88.23 165.32 15.13 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.779 0.323 . . . . 25.0 111.39 -178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -156.95 -176.56 6.05 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 115.412 -0.813 . . . . 25.0 110.16 -162.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -68.22 -7.97 35.01 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.135 1.161 . . . . 25.0 114.135 179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -98.47 2.94 48.2 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.959 -0.564 . . . . 25.0 109.947 178.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -84.45 157.72 21.27 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.87 0.843 . . . . 25.0 112.98 -176.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -143.55 127.81 17.72 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.091 -0.959 . . . . 25.0 108.768 178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -102.61 141.56 35.23 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.795 -0.638 . . . . 25.0 110.094 -175.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.7 mt -111.99 136.87 50.77 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.105 -0.498 . . . . 25.0 110.7 179.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.9 mm -99.23 120.2 48.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.308 -1.368 . . . . 25.0 107.308 177.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -117.61 170.27 8.89 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 109.252 -0.647 . . . . 25.0 109.252 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -115.99 143.89 18.24 Favored Glycine 0 CA--C 1.502 -0.72 0 N-CA-C 110.307 -1.117 . . . . 25.0 110.307 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.2 pttt -124.82 144.26 50.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.504 0.669 . . . . 25.0 111.427 177.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 33.3 mm -130.13 85.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 N-CA-C 104.966 -2.235 . . . . 25.0 104.966 176.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 35.4 t -160.18 154.62 23.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.733 -0.839 . . . . 25.0 108.733 -176.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 36.2 m120 -134.02 142.46 47.63 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.213 -0.819 0 CA-C-O 124.589 2.138 . . . . 25.0 112.744 -178.802 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 N--CA 1.487 1.411 0 N-CA-C 115.26 1.578 . . . . 25.0 115.26 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.1 mp 55.76 53.72 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 CA-C-N 114.691 -1.141 . . . . 25.0 109.097 177.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -24.66 66.62 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 115.041 -0.981 . . . . 25.0 112.035 -179.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.39 -6.16 46.33 Favored Glycine 0 C--O 1.224 -0.523 0 C-N-CA 121.226 -0.511 . . . . 25.0 113.584 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -82.5 -7.38 59.64 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 122.189 0.995 . . . . 25.0 109.154 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -136.07 162.53 32.64 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 104.209 -2.515 . . . . 25.0 104.209 174.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -121.23 148.6 44.05 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 104.943 -2.243 . . . . 25.0 104.943 174.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -98.16 111.61 23.88 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 108.798 -0.816 . . . . 25.0 108.798 -175.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.8 mp -112.77 129.48 56.41 Favored 'General case' 0 CA--C 1.489 -1.386 0 N-CA-C 107.418 -1.327 . . . . 25.0 107.418 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.1 m -95.39 136.17 36.09 Favored 'General case' 0 C--N 1.311 -1.107 0 CA-C-N 114.815 -1.084 . . . . 25.0 108.598 -176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.428 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 22.4 mm -113.15 135.42 52.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.0 m -139.4 139.39 37.12 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.465 0.65 . . . . 25.0 112.102 178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -96.97 102.6 14.42 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.043 -0.526 . . . . 25.0 111.293 -175.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.8 -16.12 56.78 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.558 -0.746 . . . . 25.0 111.575 178.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -82.68 -34.26 27.45 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.2 p -118.31 -18.28 9.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.868 0.692 . . . . 25.0 112.868 -169.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.15 -1.51 88.69 Favored Glycine 0 C--O 1.227 -0.344 0 N-CA-C 111.87 -0.492 . . . . 25.0 111.87 -175.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -70.81 148.25 48.07 Favored 'General case' 0 C--O 1.24 0.587 0 CA-C-O 121.363 0.601 . . . . 25.0 111.129 179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.5 mm -119.66 117.07 52.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 106.804 -1.554 . . . . 25.0 106.804 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.428 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 53.0 m-85 -94.54 172.65 8.05 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.836 -1.542 . . . . 25.0 106.836 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -75.88 158.76 50.2 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 117.744 1.857 . . . . 25.0 117.744 -167.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -70.89 116.33 4.63 Favored 'Trans proline' 0 CA--C 1.502 -1.117 1 C-N-CA 112.252 -4.699 . . . . 25.0 109.039 159.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -96.89 139.98 18.41 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.257 0 CA-C-N 112.63 -2.077 . . . . 25.0 108.593 -177.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -86.94 105.05 16.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.41 -1.268 . . . . 25.0 108.003 -177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.6 m -123.75 162.5 24.59 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.724 0 N-CA-C 108.205 -1.035 . . . . 25.0 108.205 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.85 152.69 20.22 Favored 'General case' 0 C--N 1.317 -0.806 0 O-C-N 121.91 -0.494 . . . . 25.0 110.236 -178.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.0 pt-20 -64.72 -25.56 67.99 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.191 0.52 . . . . 25.0 110.82 178.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -95.46 8.32 43.6 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.699 0.762 . . . . 25.0 111.433 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.0 ttt -72.55 143.08 48.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 105.596 -2.002 . . . . 25.0 105.596 175.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.45 153.97 38.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 178.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.7 -41.43 86.28 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.566 -0.901 . . . . 25.0 108.566 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.0 p -66.03 -32.1 73.38 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.971 -0.559 . . . . 25.0 110.921 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -76.0 -36.36 59.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.746 -0.464 . . . . 25.0 109.746 -177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.6 tp -59.31 -47.94 83.49 Favored 'General case' 0 C--O 1.219 -0.533 0 N-CA-C 108.157 -1.053 . . . . 25.0 108.157 174.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.22 -35.1 74.16 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.8 0 C-N-CA 120.468 -0.493 . . . . 25.0 110.277 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.48 -40.75 75.42 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.885 -0.509 . . . . 25.0 110.055 176.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.94 -43.34 75.27 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 175.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.47 -31.81 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.827 0.346 . . . . 25.0 111.508 -178.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.3 mt-30 -71.75 -34.41 69.49 Favored 'General case' 0 C--N 1.32 -0.712 0 O-C-N 122.219 -0.301 . . . . 25.0 110.519 178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.85 -40.8 31.63 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -97.76 -58.02 2.09 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 113.426 0.899 . . . . 25.0 113.426 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.6 m -80.67 -2.64 47.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.181 1.178 . . . . 25.0 114.181 -174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 73.67 21.04 79.8 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 121.188 -0.529 . . . . 25.0 113.505 179.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -65.92 145.98 55.27 Favored 'General case' 0 C--O 1.217 -0.634 0 O-C-N 122.199 -0.589 . . . . 25.0 110.007 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.9 t0 -136.57 108.35 7.06 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 105.984 -1.858 . . . . 25.0 105.984 172.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.0 pttp -63.88 -9.75 16.91 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.491 1.293 . . . . 25.0 114.491 -176.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.4 p -86.94 -28.51 22.7 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.329 -0.857 . . . . 25.0 112.101 174.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 32.5 mmmt -106.73 -13.98 15.13 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.029 0.443 . . . . 25.0 111.803 -176.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -133.15 163.44 29.27 Favored 'General case' 0 C--N 1.316 -0.858 0 CA-C-N 115.725 -0.67 . . . . 25.0 112.759 -173.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -123.64 145.47 48.92 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.8 tp -101.48 130.0 47.65 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 105.975 -1.861 . . . . 25.0 105.975 176.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -115.22 140.08 49.4 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 120.963 0.411 . . . . 25.0 111.838 -175.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -145.54 138.45 26.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.068 -1.456 . . . . 25.0 107.068 173.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.7 t30 52.74 35.04 17.51 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-O 121.735 0.779 . . . . 25.0 111.116 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.3 mtp 61.23 18.27 8.99 Favored 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 115.161 1.541 . . . . 25.0 115.161 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -123.18 165.21 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.803 -1.184 . . . . 25.0 107.803 175.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -90.73 128.82 42.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.436 0.636 . . . . 25.0 111.444 -175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.12 111.65 20.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.785 -1.191 . . . . 25.0 107.785 173.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -64.91 117.81 8.12 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.833 0.825 . . . . 25.0 109.617 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 5.7 m -66.66 -6.86 17.1 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 116.779 2.14 . . . . 25.0 116.779 -172.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -102.07 -0.63 33.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 117.92 0.327 . . . . 25.0 111.876 -177.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 67.3 mtp180 -80.95 127.17 32.26 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 121.919 -0.488 . . . . 25.0 109.693 -179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -91.92 31.71 1.21 Allowed 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.508 0.559 . . . . 25.0 112.508 -176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -76.85 168.72 19.61 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.436 -0.579 . . . . 25.0 109.436 179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -94.18 157.52 16.03 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.483 -1.673 . . . . 25.0 106.483 175.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.9 mt -60.62 -31.68 70.84 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.041 0.448 . . . . 25.0 110.965 -178.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -58.0 -37.95 75.23 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.4 0.889 . . . . 25.0 113.4 176.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -74.37 -22.56 59.15 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.151 0.5 . . . . 25.0 110.796 -177.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 53.6 mt -83.35 -10.63 58.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.669 -0.696 . . . . 25.0 109.513 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.15 15.46 66.89 Favored Glycine 0 C--O 1.228 -0.245 0 CA-C-N 115.485 -0.78 . . . . 25.0 113.056 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 78.6 mt -70.82 142.92 51.27 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.495 0.664 . . . . 25.0 112.119 -177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -138.36 169.91 16.95 Favored 'General case' 0 C--O 1.212 -0.915 0 CA-C-N 114.952 -1.022 . . . . 25.0 110.217 -174.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -70.29 5.28 1.78 Allowed 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 115.288 1.588 . . . . 25.0 115.288 178.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -124.26 27.13 7.17 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 -173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -107.66 152.68 23.99 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 115.919 1.822 . . . . 25.0 115.919 179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 54.5 tp -121.12 129.16 53.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 113.751 -1.568 . . . . 25.0 107.78 174.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.12 139.55 45.14 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.724 -1.213 . . . . 25.0 107.724 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.2 mt -115.19 144.54 43.54 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.954 0.407 . . . . 25.0 111.735 -176.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 15.4 mm -111.99 119.08 59.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.614 -0.884 . . . . 25.0 108.614 -179.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.9 ttt85 -120.59 162.14 20.15 Favored 'General case' 0 C--O 1.213 -0.833 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 177.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.59 145.77 16.05 Favored Glycine 0 CA--C 1.499 -0.921 0 N-CA-C 108.619 -1.792 . . . . 25.0 108.619 178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -121.35 150.09 41.98 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.591 0.71 . . . . 25.0 111.294 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -79.0 -43.98 24.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 107.228 -1.397 . . . . 25.0 107.228 179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.5 p -162.55 -59.87 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.152 -1.425 . . . . 25.0 107.152 177.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -156.91 179.94 8.8 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 103.712 -2.699 . . . . 25.0 103.712 175.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 C--O 1.209 -1.046 0 CA-C-O 124.943 2.306 . . . . 25.0 111.394 171.521 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.7 t60 . . . . . 0 N--CA 1.496 1.839 0 CA-C-O 124.982 2.325 . . . . 25.0 112.806 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.5 mm -84.16 118.02 30.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 112.979 -1.919 . . . . 25.0 107.946 178.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -75.53 165.67 24.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.039 -0.528 . . . . 25.0 111.551 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.62 -46.84 3.15 Favored Glycine 0 C--O 1.22 -0.781 0 N-CA-C 117.32 1.688 . . . . 25.0 117.32 172.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.3 mtt180 -104.62 24.69 11.33 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 117.926 0.863 . . . . 25.0 112.635 -176.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 3.7 m170 -119.79 145.43 46.6 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 106.982 -1.488 . . . . 25.0 106.982 174.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.9 ptt? -142.59 154.84 44.78 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 107.207 -1.405 . . . . 25.0 107.207 -178.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -100.84 118.72 37.46 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.858 -0.794 . . . . 25.0 108.858 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 42.8 mt -107.01 129.08 54.85 Favored 'General case' 0 CA--C 1.501 -0.931 0 N-CA-C 107.471 -1.307 . . . . 25.0 107.471 174.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 29.4 m -93.96 135.66 35.07 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.518 -1.29 . . . . 25.0 107.518 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.0 mm -111.96 138.75 39.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 N-CA-C 107.593 -1.262 . . . . 25.0 107.593 -177.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.7 t -144.07 140.43 29.49 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.34 0.591 . . . . 25.0 111.631 178.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.61 116.27 23.8 Favored 'General case' 0 N--CA 1.438 -1.035 0 N-CA-C 112.371 0.508 . . . . 25.0 112.371 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -71.96 -24.67 61.64 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.113 0.483 . . . . 25.0 110.529 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -79.82 -40.79 27.78 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.419 0.896 . . . . 25.0 113.419 -178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 p -108.18 -15.3 14.53 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 113.28 0.845 . . . . 25.0 113.28 -172.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.23 2.91 90.39 Favored Glycine 0 C--O 1.227 -0.314 0 C-N-CA 121.432 -0.413 . . . . 25.0 112.612 -177.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -68.44 146.68 52.97 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-O 121.547 0.689 . . . . 25.0 112.378 -178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.3 mm -113.01 118.46 58.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.5 m-85 -98.32 175.34 6.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.326 -1.731 . . . . 25.0 106.326 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.16 149.4 44.11 Favored Glycine 0 CA--C 1.493 -1.309 0 N-CA-C 118.323 2.089 . . . . 25.0 118.323 -172.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -71.46 122.66 8.84 Favored 'Trans proline' 0 N--CA 1.453 -0.89 1 C-N-CA 111.204 -5.397 . . . . 25.0 107.771 159.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.6 pt -106.12 141.84 20.47 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.404 0 CA-C-N 112.508 -2.133 . . . . 25.0 111.123 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -81.98 106.33 13.81 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.7 -1.136 . . . . 25.0 108.661 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -122.04 165.27 18.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 N-CA-C 107.869 -1.16 . . . . 25.0 107.869 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -105.82 152.26 23.46 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 122.254 -0.278 . . . . 25.0 111.161 -177.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -60.41 -31.59 70.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.429 0.633 . . . . 25.0 111.255 177.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -90.79 0.5 57.43 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.069 -0.514 . . . . 25.0 111.09 -174.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -66.1 141.02 58.27 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 107.188 -1.412 . . . . 25.0 107.188 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 153.15 38.15 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.511 -0.922 . . . . 25.0 108.511 178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -41.08 84.0 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.587 -0.894 . . . . 25.0 108.587 175.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -65.65 -32.62 74.29 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.159 -0.473 . . . . 25.0 111.169 -178.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -75.91 -35.99 59.59 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.69 -48.06 83.17 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.1 mt -63.42 -38.5 82.33 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.652 0 C-N-CA 120.687 -0.405 . . . . 25.0 110.219 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.9 -40.26 79.88 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 121.049 -0.26 . . . . 25.0 110.733 179.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 50.0 tp -65.71 -40.74 92.57 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.888 -0.412 . . . . 25.0 109.888 175.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.63 -32.57 74.09 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 111.801 0.297 . . . . 25.0 111.801 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.23 -36.6 84.66 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.491 -0.756 . . . . 25.0 111.368 176.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -44.99 21.28 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.447 0.536 . . . . 25.0 112.447 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -87.95 -56.38 3.36 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 121.582 0.706 . . . . 25.0 112.732 -175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.3 m -87.14 -6.25 58.71 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -175.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.91 26.74 73.83 Favored Glycine 0 CA--C 1.518 0.279 0 C-N-CA 120.965 -0.636 . . . . 25.0 111.961 -177.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -71.23 105.39 3.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 122.655 1.217 . . . . 25.0 112.258 -174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.8 97.55 10.24 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.202 -1.363 . . . . 25.0 107.851 176.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -65.13 -6.47 9.22 Favored 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 113.802 1.038 . . . . 25.0 113.802 -175.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 27.9 p -91.53 -22.79 20.18 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.106 -0.497 . . . . 25.0 112.283 175.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 75.1 mttt -113.08 -16.19 12.67 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.722 0.773 . . . . 25.0 110.889 -176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 61.2 m80 -133.03 161.84 33.28 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 108.363 -0.977 . . . . 25.0 108.363 -175.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -127.21 147.8 50.2 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.012 -0.736 . . . . 25.0 109.012 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 50.3 tp -98.08 129.68 44.9 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 106.941 -1.503 . . . . 25.0 106.941 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -115.52 141.56 47.9 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.988 0.423 . . . . 25.0 111.804 -176.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -143.09 138.26 29.74 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 106.882 -1.525 . . . . 25.0 106.882 173.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 53.3 33.49 15.72 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.208 0.528 . . . . 25.0 111.329 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.7 mtp 65.03 14.61 9.47 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 115.344 1.609 . . . . 25.0 115.344 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -121.62 164.41 17.35 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 175.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 68.3 mt -84.26 128.54 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.194 0.521 . . . . 25.0 111.042 -176.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 62.8 mt -81.84 120.24 24.92 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 172.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -67.03 105.48 1.67 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.816 0.817 . . . . 25.0 109.623 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 33.3 m -62.33 -6.95 3.63 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 115.696 1.739 . . . . 25.0 115.696 -176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -101.08 0.38 37.8 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.109 0.781 . . . . 25.0 113.109 -178.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -88.12 137.64 32.15 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 121.887 -0.508 . . . . 25.0 111.561 -178.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -96.06 29.86 2.63 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.793 -0.639 . . . . 25.0 111.299 -178.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -74.02 166.23 23.75 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.769 -0.826 . . . . 25.0 108.769 179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 68.1 m -93.51 157.99 15.93 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.181 -1.414 . . . . 25.0 107.181 175.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 71.8 mt -60.27 -32.52 71.24 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.3 0.571 . . . . 25.0 110.493 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -57.19 -38.5 73.74 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 113.602 0.964 . . . . 25.0 113.602 176.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -75.77 -21.82 57.05 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.182 0.515 . . . . 25.0 111.088 -177.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 57.9 mt -81.62 -9.89 59.56 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.948 -0.76 . . . . 25.0 108.948 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.17 18.61 62.45 Favored Glycine 0 N--CA 1.452 -0.264 0 CA-C-N 115.275 -0.875 . . . . 25.0 112.742 177.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.3 mt -74.69 146.51 42.25 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.299 0.481 . . . . 25.0 112.299 -177.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.63 176.81 8.75 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 108.018 -1.104 . . . . 25.0 108.018 -179.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.4 t -70.09 -4.09 19.56 Favored 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 114.95 1.463 . . . . 25.0 114.95 -178.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -99.39 2.81 45.54 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.219 0.533 . . . . 25.0 110.543 -177.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -92.86 152.9 19.14 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 115.451 1.648 . . . . 25.0 115.451 -174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.5 tt -125.94 135.57 52.03 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 113.97 -1.468 . . . . 25.0 108.418 175.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.66 140.14 43.86 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.817 -0.809 . . . . 25.0 108.817 -177.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 74.6 mt -110.92 139.06 46.57 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.688 0.625 . . . . 25.0 112.688 -177.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 20.8 mm -101.47 116.85 45.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.0 ttt85 -118.5 162.29 18.61 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.747 -0.835 . . . . 25.0 108.747 178.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.37 144.98 16.09 Favored Glycine 0 CA--C 1.502 -0.735 0 N-CA-C 109.838 -1.305 . . . . 25.0 109.838 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -129.07 161.37 30.16 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.415 -0.392 . . . . 25.0 110.019 178.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.5 mt -79.55 116.11 23.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 106.319 -1.734 . . . . 25.0 106.319 176.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 51.1 p -73.25 143.5 47.04 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 107.817 -1.179 . . . . 25.0 107.817 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -136.28 143.36 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.207 -0.664 . . . . 25.0 109.207 -178.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.208 -1.123 0 CA-C-O 124.236 1.97 . . . . 25.0 112.603 -179.683 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 54.9 p-80 . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 121.652 0.739 . . . . 25.0 112.81 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.9 pt -118.72 163.76 15.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 N-CA-C 105.968 -1.864 . . . . 25.0 105.968 175.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -135.15 140.74 45.63 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.935 -0.394 . . . . 25.0 109.935 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -104.47 40.8 2.33 Favored Glycine 0 C--O 1.225 -0.448 0 CA-C-O 119.689 -0.506 . . . . 25.0 112.162 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 52.8 37.0 22.85 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 123.496 0.718 . . . . 25.0 110.837 -174.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -108.94 148.72 30.26 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.782 -1.192 . . . . 25.0 107.782 -178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -140.33 151.68 45.23 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 106.239 -1.763 . . . . 25.0 106.239 177.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -104.17 115.52 30.56 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.526 -0.916 . . . . 25.0 108.526 -175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.5 mp -115.57 130.81 57.0 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.7 m -93.08 140.74 29.17 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.755 -1.111 . . . . 25.0 108.761 -176.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.1 mm -116.43 129.76 72.35 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 N-CA-C 108.606 -0.887 . . . . 25.0 108.606 -176.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.5 m -130.26 139.75 50.74 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.203 0.525 . . . . 25.0 111.105 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -99.19 105.0 17.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.073 0.463 . . . . 25.0 111.965 -176.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.1 -18.16 59.89 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.738 0.78 . . . . 25.0 110.292 175.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 28.0 mt -79.81 -30.35 40.49 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 114.376 1.251 . . . . 25.0 114.376 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.3 p -126.73 -19.09 4.59 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 113.136 0.791 . . . . 25.0 113.136 -170.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.2 -2.73 87.56 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.639 -0.584 . . . . 25.0 111.639 -175.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 68.3 mm-40 -77.92 156.46 30.28 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.988 0.423 . . . . 25.0 110.371 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -128.3 125.05 63.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.5 m-85 -94.94 174.88 6.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 107.135 -1.431 . . . . 25.0 107.135 178.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.52 157.25 53.21 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 118.817 2.287 . . . . 25.0 118.817 -169.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -71.32 116.72 4.81 Favored 'Trans proline' 0 N--CA 1.456 -0.721 1 C-N-CA 112.009 -4.861 . . . . 25.0 108.792 160.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.9 pt -99.22 142.45 14.97 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.685 0 CA-C-N 112.759 -2.018 . . . . 25.0 109.074 -176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.92 105.23 16.94 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 113.691 -1.595 . . . . 25.0 108.564 -175.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.49 163.13 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.749 0 N-CA-C 108.425 -0.954 . . . . 25.0 108.425 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.4 t -100.92 151.4 21.79 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.615 -0.434 . . . . 25.0 111.558 -176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.3 pt-20 -61.37 -28.38 69.2 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.14 0.495 . . . . 25.0 110.969 176.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -100.22 10.14 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.735 0.779 . . . . 25.0 111.254 -174.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.7 ttt -72.79 143.31 47.97 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.317 -2.105 . . . . 25.0 105.317 175.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.18 154.77 35.1 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 177.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -59.3 -40.2 85.45 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.517 -0.92 . . . . 25.0 108.517 174.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.7 p -67.53 -30.62 70.33 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.089 -0.505 . . . . 25.0 110.628 -178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -76.07 -35.14 59.52 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 109.569 -0.53 . . . . 25.0 109.569 -179.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.9 tp -58.83 -45.6 89.65 Favored 'General case' 0 C--O 1.217 -0.626 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 174.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 95.7 mt -68.31 -32.78 57.1 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.718 0 O-C-N 122.042 -0.411 . . . . 25.0 110.587 179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.497 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.69 -40.33 79.2 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.869 -0.519 . . . . 25.0 109.864 175.161 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.9 tp -70.76 -42.46 70.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.578 0.227 . . . . 25.0 110.742 176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.9 mt -64.03 -34.47 78.09 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.024 0.379 . . . . 25.0 112.024 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.497 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -64.37 -36.67 84.89 Favored 'General case' 0 C--N 1.322 -0.614 0 O-C-N 122.278 -0.264 . . . . 25.0 110.902 175.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.62 19.81 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 -178.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -93.3 -57.97 2.45 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 113.448 0.907 . . . . 25.0 113.448 -174.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.91 -6.01 58.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 112.426 0.528 . . . . 25.0 112.426 -174.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.98 25.36 73.27 Favored Glycine 0 C--O 1.236 0.279 0 N-CA-C 111.895 -0.482 . . . . 25.0 111.895 -179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -78.67 104.46 9.3 Favored 'General case' 0 C--O 1.207 -1.164 0 N-CA-C 107.698 -1.223 . . . . 25.0 107.698 -177.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -88.74 110.57 21.11 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.05 -1.092 . . . . 25.0 108.05 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.7 -5.59 26.02 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 113.522 0.934 . . . . 25.0 113.522 -173.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -92.54 -20.46 20.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 121.983 -0.448 . . . . 25.0 111.203 176.303 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 44.5 mttp -104.62 -26.59 12.27 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.414 0.626 . . . . 25.0 110.215 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.42 164.54 21.64 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.04 -0.982 . . . . 25.0 111.263 -169.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -127.5 154.06 45.58 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.665 -0.865 . . . . 25.0 108.665 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.4 tp -105.73 131.85 52.58 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.704 -1.221 . . . . 25.0 107.704 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.7 m-85 -118.05 142.57 47.25 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.072 0.463 . . . . 25.0 111.476 -176.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.9 t80 -147.02 138.24 24.0 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 106.321 -1.733 . . . . 25.0 106.321 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 9.8 t30 53.44 35.02 19.49 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.47 0.652 . . . . 25.0 111.318 -178.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.5 mtp 61.23 18.16 8.88 Favored 'General case' 0 N--CA 1.477 0.898 0 N-CA-C 115.153 1.538 . . . . 25.0 115.153 -179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -124.58 164.62 19.44 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 107.883 -1.154 . . . . 25.0 107.883 176.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -87.07 128.39 39.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.296 0.569 . . . . 25.0 110.872 -176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.9 mt -83.86 117.3 23.22 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.102 -1.814 . . . . 25.0 106.102 171.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -63.91 110.05 1.97 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.729 -0.841 . . . . 25.0 108.729 178.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 97.8 p -61.13 -6.96 2.27 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 114.921 1.452 . . . . 25.0 114.921 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 63.2 m-80 -103.42 -2.02 27.6 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.454 0.909 . . . . 25.0 113.454 -178.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 66.7 mtp180 -86.82 122.83 31.25 Favored 'General case' 0 C--O 1.213 -0.825 0 O-C-N 121.774 -0.578 . . . . 25.0 111.176 -178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.5 31.52 0.41 Allowed 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 115.043 1.497 . . . . 25.0 115.043 -178.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 -74.55 167.84 20.95 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 m -91.88 155.85 17.9 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 106.503 -1.666 . . . . 25.0 106.503 176.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 61.2 mt -61.55 -29.84 70.27 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.171 0.51 . . . . 25.0 110.676 -179.067 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.1 tttt -59.15 -37.63 77.75 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 113.046 0.758 . . . . 25.0 113.046 176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -74.02 -25.16 59.72 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.088 0.471 . . . . 25.0 110.896 -178.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.51 -11.31 59.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.313 0.578 . . . . 25.0 110.105 179.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.02 23.7 56.77 Favored Glycine 0 N--CA 1.453 -0.195 0 CA-C-N 115.668 -0.696 . . . . 25.0 112.319 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 71.3 mt -77.63 148.25 35.17 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.913 0.387 . . . . 25.0 110.501 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.406 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -146.1 170.88 15.79 Favored 'General case' 0 C--O 1.214 -0.771 0 N-CA-C 109.011 -0.737 . . . . 25.0 109.011 -176.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.2 t -69.68 1.73 3.94 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 115.218 1.562 . . . . 25.0 115.218 -178.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.8 t0 -106.22 4.86 29.32 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -92.75 153.69 18.75 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 116.007 1.854 . . . . 25.0 116.007 -174.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -127.71 133.14 49.55 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 113.336 -1.756 . . . . 25.0 107.654 174.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -109.31 145.61 35.69 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 -176.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 77.7 mt -112.69 137.86 50.35 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.0 mm -103.66 120.41 53.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.542 -0.91 . . . . 25.0 108.542 177.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -125.83 162.56 24.86 Favored 'General case' 0 C--O 1.209 -1.035 0 N-CA-C 110.462 -0.199 . . . . 25.0 110.462 178.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.58 149.98 20.91 Favored Glycine 0 N--CA 1.441 -1.027 0 N-CA-C 106.708 -2.557 . . . . 25.0 106.708 175.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -126.43 164.6 20.76 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 121.17 0.51 . . . . 25.0 110.952 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -86.28 134.41 27.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 107.953 -1.129 . . . . 25.0 107.953 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 66.6 m -129.37 141.49 51.05 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 106.013 -1.847 . . . . 25.0 106.013 175.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 65.7 m-20 -135.28 154.84 51.41 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.302 -0.629 . . . . 25.0 109.302 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.212 -0.887 0 CA-C-O 124.921 2.296 . . . . 25.0 112.131 175.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.2 t60 . . . . . 0 N--CA 1.488 1.466 0 CA-C-O 124.62 2.152 . . . . 25.0 112.688 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.9 mm -122.89 113.35 37.72 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 N-CA-C 105.667 -1.975 . . . . 25.0 105.667 175.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -117.04 18.41 14.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.108 0.48 . . . . 25.0 110.597 -174.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 101.55 83.02 1.7 Allowed Glycine 0 C--O 1.227 -0.289 0 CA-C-O 121.815 0.675 . . . . 25.0 111.517 -177.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -66.2 153.94 41.12 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.867 -0.784 . . . . 25.0 110.757 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -88.77 153.05 21.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 107.393 -1.336 . . . . 25.0 107.393 172.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.7 ptt? -147.73 151.68 36.49 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.847 -1.168 . . . . 25.0 107.847 177.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -104.01 112.27 25.18 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.429 -0.952 . . . . 25.0 108.429 -176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.1 mp -111.75 129.85 55.98 Favored 'General case' 0 CA--C 1.491 -1.292 0 N-CA-C 108.7 -0.852 . . . . 25.0 108.7 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.0 m -91.4 138.78 31.31 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 114.92 -1.036 . . . . 25.0 108.905 -176.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.24 135.38 55.39 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 -177.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 53.8 m -141.0 143.56 34.51 Favored 'General case' 0 C--N 1.32 -0.69 0 O-C-N 121.794 -0.566 . . . . 25.0 111.587 178.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -88.93 121.42 31.28 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 114.211 1.189 . . . . 25.0 114.211 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.0 -23.63 61.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.089 0.471 . . . . 25.0 110.649 177.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.9 mt -89.9 -43.3 10.69 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 113.414 0.894 . . . . 25.0 113.414 -175.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 37.8 p -104.26 -16.26 15.24 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.114 0.783 . . . . 25.0 113.114 -172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.42 -1.12 86.6 Favored Glycine 0 C--O 1.227 -0.342 0 C-N-CA 121.357 -0.449 . . . . 25.0 112.74 -177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -69.24 147.3 51.44 Favored 'General case' 0 C--O 1.238 0.463 0 CA-C-O 121.303 0.573 . . . . 25.0 111.662 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.0 mm -113.22 122.8 68.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 N-CA-C 107.865 -1.161 . . . . 25.0 107.865 -179.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -99.63 172.81 7.05 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 106.99 -1.485 . . . . 25.0 106.99 178.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.22 155.0 51.24 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 116.845 1.498 . . . . 25.0 116.845 -171.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -68.91 117.07 4.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 1 C-N-CA 111.763 -5.024 . . . . 25.0 107.185 159.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.0 pt -96.59 139.93 18.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.283 0 CA-C-N 114.631 -1.168 . . . . 25.0 108.811 -177.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.98 105.04 16.85 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.803 -1.09 . . . . 25.0 108.468 -175.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.4 m -125.17 164.56 23.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 108.217 -1.031 . . . . 25.0 108.217 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -97.34 152.34 19.01 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.498 -0.481 . . . . 25.0 110.733 -178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.0 pt-20 -65.54 -23.59 66.91 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.628 0.252 . . . . 25.0 110.339 176.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -102.82 14.26 32.39 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 121.777 0.799 . . . . 25.0 111.634 -179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -70.97 143.96 50.67 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 105.791 -1.929 . . . . 25.0 105.791 175.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.25 152.45 38.29 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.55 -41.0 84.58 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.091 -0.707 . . . . 25.0 109.091 176.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 18.5 p -64.81 -33.58 76.32 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 120.534 -0.466 . . . . 25.0 110.84 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -76.05 -34.81 59.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 -176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.3 tp -59.46 -45.76 90.7 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.432 -0.951 . . . . 25.0 108.432 173.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.66 -34.45 70.44 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.592 0 O-C-N 122.184 -0.322 . . . . 25.0 110.568 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.22 -38.5 80.1 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 122.042 -0.411 . . . . 25.0 110.736 176.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 21.6 tp -68.69 -40.0 80.27 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 25.0 110.04 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.0 mt -64.52 -30.02 71.05 Favored 'General case' 0 C--O 1.218 -0.587 0 O-C-N 122.101 -0.374 . . . . 25.0 111.519 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -66.2 -36.44 83.06 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 121.748 -0.595 . . . . 25.0 110.577 176.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.53 -45.03 22.89 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 112.786 0.661 . . . . 25.0 112.786 -177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -92.05 -52.8 4.53 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.865 0.841 . . . . 25.0 112.955 -174.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.5 m -86.0 -6.85 58.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.77 27.14 71.65 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 111.026 -0.83 . . . . 25.0 111.026 -177.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -69.39 104.5 2.3 Favored 'General case' 0 C--O 1.221 -0.441 0 CA-C-O 121.754 0.787 . . . . 25.0 111.321 -174.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -85.64 102.61 13.73 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 175.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -63.14 -9.7 11.93 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 114.709 1.374 . . . . 25.0 114.709 -175.117 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 46.1 p -88.33 -19.49 26.62 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.745 -0.597 . . . . 25.0 112.583 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -114.43 -14.02 12.2 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.254 0.549 . . . . 25.0 110.509 -176.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 65.7 m80 -133.48 160.88 36.12 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.719 -173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.24 148.31 52.45 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.709 -0.848 . . . . 25.0 108.709 -177.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 47.2 tp -100.63 128.97 46.5 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 106.964 -1.495 . . . . 25.0 106.964 178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -115.76 139.4 50.2 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.863 0.363 . . . . 25.0 110.817 -176.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -136.48 131.39 33.94 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 107.09 -1.448 . . . . 25.0 107.09 174.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 49.2 38.87 14.28 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.143 0.497 . . . . 25.0 112.224 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 66.0 mtp 66.06 14.26 9.52 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.743 1.757 . . . . 25.0 115.743 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -118.48 162.98 17.45 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.524 -1.287 . . . . 25.0 107.524 174.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.2 mt -91.04 126.74 43.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.343 0.592 . . . . 25.0 111.403 -175.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.8 mt -84.23 108.67 17.24 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 106.551 -1.648 . . . . 25.0 106.551 172.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -62.4 115.31 4.1 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.945 0.879 . . . . 25.0 110.456 -178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 84.0 p -61.6 -7.09 2.92 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.58 1.696 . . . . 25.0 115.58 -177.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -99.44 -2.16 36.79 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.612 0.597 . . . . 25.0 112.612 -179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -83.37 142.63 30.89 Favored 'General case' 0 C--O 1.216 -0.665 0 O-C-N 121.859 -0.526 . . . . 25.0 110.162 178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.95 31.98 5.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.393 0.616 . . . . 25.0 111.264 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -73.88 166.72 22.85 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.6 m -91.05 157.07 17.46 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.847 -1.538 . . . . 25.0 106.847 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.4 mt -61.28 -29.03 69.61 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.08 0.467 . . . . 25.0 110.96 -178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tptt -56.13 -40.52 73.91 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 123.642 0.777 . . . . 25.0 112.797 174.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -74.14 -27.32 60.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.245 0.545 . . . . 25.0 110.712 -176.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.3 mt -80.12 -10.63 59.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.629 -0.714 . . . . 25.0 110.03 -179.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.1 18.57 66.89 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.759 -0.655 . . . . 25.0 113.199 177.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 87.1 mt -74.79 153.54 38.72 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 122.374 0.27 . . . . 25.0 110.351 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 4.2 ptpt -156.34 168.18 28.15 Favored 'General case' 0 C--O 1.21 -1.019 0 N-CA-C 109.666 -0.494 . . . . 25.0 109.666 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -65.14 1.03 1.09 Allowed 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.2 1.555 . . . . 25.0 115.2 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -118.34 16.97 13.92 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -174.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -124.82 157.36 36.02 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.108 1.521 . . . . 25.0 115.108 -179.456 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.9 tt -126.23 134.94 51.07 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 114.699 -1.137 . . . . 25.0 110.576 -173.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.45 143.9 32.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.698 -0.683 . . . . 25.0 110.358 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 78.9 mt -108.45 138.69 44.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.184 -0.462 . . . . 25.0 111.712 178.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 32.9 mm -100.12 114.15 37.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 176.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.29 162.16 18.34 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 110.101 -0.333 . . . . 25.0 110.101 -175.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.3 135.16 11.99 Favored Glycine 0 N--CA 1.448 -0.541 0 N-CA-C 110.675 -0.97 . . . . 25.0 110.675 178.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -75.69 -36.49 60.02 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.741 -1.577 . . . . 25.0 106.741 173.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 79.0 mt -87.04 132.99 31.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 113.792 -1.549 . . . . 25.0 107.784 -178.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 46.8 t -142.33 145.82 34.34 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 106.52 -1.659 . . . . 25.0 106.52 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 51.92 37.69 21.61 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-O 121.632 0.729 . . . . 25.0 112.501 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 124.882 1.273 . . . . 25.0 114.117 -178.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 63.6 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 122.732 1.254 . . . . 25.0 113.025 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.7 mm -29.82 116.97 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 112.885 -1.961 . . . . 25.0 113.971 -174.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -97.23 175.32 6.32 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 114.007 -1.451 . . . . 25.0 107.525 -178.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 113.64 58.04 0.4 Allowed Glycine 0 N--CA 1.461 0.334 0 C-N-CA 121.506 -0.378 . . . . 25.0 113.497 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.3 ptt-85 -142.57 177.37 8.34 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -78.22 154.8 30.74 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 107.84 -1.17 . . . . 25.0 107.84 173.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -145.94 152.8 40.0 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 107.15 -1.426 . . . . 25.0 107.15 177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.5 111.95 23.54 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 107.85 -1.167 . . . . 25.0 107.85 -173.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -109.49 131.66 54.85 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 108.987 -0.745 . . . . 25.0 108.987 -177.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.8 m -93.17 139.4 30.63 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 108.316 -0.994 . . . . 25.0 108.316 -179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 27.2 mm -113.38 136.01 51.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 N-CA-C 107.274 -1.38 . . . . 25.0 107.274 -177.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.3 t -137.76 135.23 36.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.637 0.732 . . . . 25.0 112.017 -179.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -89.36 109.46 20.36 Favored 'General case' 0 N--CA 1.436 -1.142 0 N-CA-C 114.749 1.388 . . . . 25.0 114.749 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.93 -15.46 62.09 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.021 -0.424 . . . . 25.0 111.892 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.4 mp -83.79 -41.6 17.39 Favored 'General case' 0 N--CA 1.468 0.448 0 N-CA-C 112.302 0.482 . . . . 25.0 112.302 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 44.8 p -109.41 -17.3 13.81 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 113.896 1.073 . . . . 25.0 113.896 -171.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.33 -3.4 87.25 Favored Glycine 0 CA--C 1.519 0.298 0 CA-C-N 116.418 -0.356 . . . . 25.0 112.471 -176.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -71.07 146.53 49.23 Favored 'General case' 0 C--O 1.239 0.507 0 CA-C-O 121.872 0.844 . . . . 25.0 112.637 -178.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -108.71 125.17 65.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.058 -1.46 . . . . 25.0 107.058 179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.43 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 34.9 m-85 -103.29 173.51 6.27 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 106.898 -1.519 . . . . 25.0 106.898 -178.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.96 149.02 47.16 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 117.934 1.933 . . . . 25.0 117.934 -169.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -71.65 120.39 6.88 Favored 'Trans proline' 0 CA--C 1.502 -1.085 1 C-N-CA 111.364 -5.291 . . . . 25.0 108.699 159.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.2 pt -103.25 138.01 29.3 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.462 0 CA-C-N 112.135 -2.302 . . . . 25.0 110.682 -176.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.02 105.02 16.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.573 -1.194 . . . . 25.0 109.023 -176.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.3 m -123.29 167.81 16.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.486 -0.779 . . . . 25.0 109.193 -178.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 m -103.25 148.79 25.39 Favored 'General case' 0 CA--C 1.505 -0.782 0 N-CA-C 109.613 -0.514 . . . . 25.0 109.613 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -66.72 -21.85 66.07 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-O 121.472 0.653 . . . . 25.0 111.285 178.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -88.22 -3.62 58.84 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.913 -0.585 . . . . 25.0 112.117 -178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.2 ttt -65.85 143.78 57.24 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 108.098 -1.075 . . . . 25.0 108.098 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.0 151.81 38.76 Favored 'General case' 0 C--N 1.323 -0.575 0 N-CA-C 108.704 -0.85 . . . . 25.0 108.704 178.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.38 -40.92 83.62 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.142 -0.688 . . . . 25.0 109.142 175.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.7 p -64.52 -33.28 75.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.054 -0.521 . . . . 25.0 111.088 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -75.92 -37.2 59.0 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.271 -0.64 . . . . 25.0 109.271 -177.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 60.6 tp -59.34 -47.47 85.31 Favored 'General case' 0 C--O 1.221 -0.439 0 N-CA-C 108.681 -0.859 . . . . 25.0 108.681 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -65.39 -37.01 79.05 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 C-N-CA 120.274 -0.57 . . . . 25.0 110.077 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.26 -41.09 75.23 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.858 -0.526 . . . . 25.0 110.293 177.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -67.61 -44.8 77.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.974 -0.38 . . . . 25.0 109.974 176.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -62.51 -31.94 72.78 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.955 0.354 . . . . 25.0 111.955 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -71.16 -35.75 71.76 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.15 -0.344 . . . . 25.0 110.618 177.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -41.65 28.97 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 112.503 0.557 . . . . 25.0 112.503 -178.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -95.11 -57.87 2.3 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.168 0.803 . . . . 25.0 113.168 -174.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 66.0 m -81.21 -4.72 56.35 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 113.838 1.051 . . . . 25.0 113.838 -175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 74.21 21.98 78.3 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.052 -0.594 . . . . 25.0 113.231 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 77.4 t80 -65.28 145.69 55.89 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 122.358 -0.495 . . . . 25.0 109.884 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -132.68 107.9 8.7 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.574 -1.639 . . . . 25.0 106.574 172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -64.34 -6.5 7.16 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 114.587 1.329 . . . . 25.0 114.587 -176.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.5 p -94.09 -19.92 20.38 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.62 -0.675 . . . . 25.0 112.779 176.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 66.5 mmtt -112.6 -19.9 11.91 Favored 'General case' 0 CA--C 1.507 -0.707 0 CA-C-O 121.568 0.699 . . . . 25.0 109.993 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.4 m80 -134.31 159.05 42.2 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.601 -1.181 . . . . 25.0 110.145 -171.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -124.94 153.7 42.29 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.624 -1.621 . . . . 25.0 106.624 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.6 tp -105.81 128.87 54.0 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.484 -1.673 . . . . 25.0 106.484 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -115.46 140.61 48.99 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.903 0.383 . . . . 25.0 111.635 -175.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -142.11 137.42 30.94 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 106.679 -1.601 . . . . 25.0 106.679 173.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 53.01 34.01 16.08 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 123.495 0.497 . . . . 25.0 111.754 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.2 mtp 66.83 15.03 10.04 Favored 'General case' 0 N--CA 1.477 0.923 0 N-CA-C 115.252 1.575 . . . . 25.0 115.252 179.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -123.82 164.9 18.27 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.139 -0.689 . . . . 25.0 109.139 175.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.2 mt -89.02 129.69 39.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.411 0.624 . . . . 25.0 112.419 -174.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.4 mt -90.33 101.61 14.34 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.31 -0.996 . . . . 25.0 108.31 173.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.51 124.89 21.72 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 121.578 0.704 . . . . 25.0 110.306 179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 4.8 m -66.87 -7.12 19.46 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 115.445 1.646 . . . . 25.0 115.445 -175.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 29.3 t30 -95.66 -0.83 51.22 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 112.175 0.435 . . . . 25.0 112.175 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.9 mtp85 -83.6 124.67 31.03 Favored 'General case' 0 C--O 1.214 -0.77 0 O-C-N 121.813 -0.555 . . . . 25.0 109.765 -179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.9 p -96.46 31.86 2.15 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.05 0.452 . . . . 25.0 111.554 -177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -80.9 168.12 19.1 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.856 -0.794 . . . . 25.0 108.856 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.4 m -92.63 158.06 16.16 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 178.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.5 mt -60.54 -31.22 70.32 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.057 0.391 . . . . 25.0 112.057 -177.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -68.44 -27.26 66.03 Favored 'General case' 0 N--CA 1.435 -1.224 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -77.05 -22.75 52.45 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.476 -0.564 . . . . 25.0 109.476 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.7 mt -82.24 -13.15 57.51 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.1 14.7 62.03 Favored Glycine 0 N--CA 1.454 -0.103 0 CA-C-N 115.826 -0.625 . . . . 25.0 113.268 177.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.0 mt -72.43 143.87 48.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.992 0.425 . . . . 25.0 111.768 -178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.466 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.3 ptpt -143.42 174.85 10.38 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 108.901 -0.777 . . . . 25.0 108.901 179.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -67.74 -6.84 22.9 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 114.393 1.257 . . . . 25.0 114.393 -178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.466 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.6 m-20 -100.62 4.13 43.11 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.658 -0.701 . . . . 25.0 110.399 -175.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 82.0 m-20 -102.33 165.71 10.97 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.535 0.939 . . . . 25.0 113.535 -175.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.1 tt -135.86 138.97 43.02 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.135 -0.939 . . . . 25.0 108.969 178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.73 144.58 31.55 Favored 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 109.665 -0.494 . . . . 25.0 109.665 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.1 mt -112.09 144.54 41.29 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.88 0.372 . . . . 25.0 111.455 178.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 24.4 mm -109.45 119.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.585 0 N-CA-C 107.66 -1.237 . . . . 25.0 107.66 178.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -128.8 146.52 50.89 Favored 'General case' 0 C--O 1.21 -1.013 0 CA-C-N 117.773 0.26 . . . . 25.0 110.473 -174.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -82.25 136.72 15.99 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-O 121.813 0.674 . . . . 25.0 111.538 179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 82.6 mttt -72.98 -34.54 66.52 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.394 -0.903 . . . . 25.0 110.663 178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -81.08 86.1 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 114.796 -1.093 . . . . 25.0 108.142 -179.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 43.2 p -109.19 -37.11 5.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.706 -0.679 . . . . 25.0 111.038 -179.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 52.9 t30 58.89 -81.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 123.657 1.694 . . . . 25.0 111.518 -177.807 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 123.817 1.77 . . . . 25.0 115.55 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 19.6 tt -75.83 150.51 6.5 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 N-CA-C 105.371 -2.085 . . . . 25.0 105.371 172.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -76.84 156.88 31.89 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 119.625 -0.83 . . . . 25.0 109.41 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 161.82 69.45 0.02 OUTLIER Glycine 0 C--O 1.222 -0.64 0 N-CA-C 107.206 -2.358 . . . . 25.0 107.206 -176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -62.78 102.59 0.36 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 121.109 0.481 . . . . 25.0 111.813 -173.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -132.08 156.39 46.4 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -143.85 149.38 36.87 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 104.233 -2.506 . . . . 25.0 104.233 173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -105.9 112.8 26.0 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.42 -0.955 . . . . 25.0 108.42 -172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -111.61 127.69 55.82 Favored 'General case' 0 CA--C 1.5 -0.967 0 CA-C-O 121.4 0.619 . . . . 25.0 110.716 -174.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.2 m -86.84 137.97 31.96 Favored 'General case' 0 C--N 1.316 -0.855 0 CA-C-N 114.831 -1.077 . . . . 25.0 109.0 -177.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.437 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -115.98 130.56 70.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -176.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.6 t -121.35 118.12 28.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 25.0 110.646 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -83.74 92.02 7.63 Favored 'General case' 0 C--O 1.218 -0.581 0 N-CA-C 108.223 -1.029 . . . . 25.0 108.223 178.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.68 -18.14 61.86 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.382 -0.827 . . . . 25.0 111.973 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.48 -34.38 63.1 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 113.171 0.804 . . . . 25.0 113.171 177.033 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.3 p -114.23 -19.26 11.37 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.108 -0.496 . . . . 25.0 112.079 -170.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.03 -2.24 86.95 Favored Glycine 0 CA--C 1.52 0.381 0 CA-C-N 115.982 -0.553 . . . . 25.0 111.885 -175.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -73.56 147.42 43.93 Favored 'General case' 0 CA--C 1.513 -0.47 0 CA-C-O 121.516 0.675 . . . . 25.0 111.231 -179.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.7 mm -117.65 113.94 43.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 N-CA-C 106.757 -1.571 . . . . 25.0 106.757 177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 32.5 m-85 -89.32 169.66 11.23 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.943 -1.503 . . . . 25.0 106.943 178.747 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.43 157.5 53.53 Favored Glycine 0 CA--C 1.496 -1.095 0 N-CA-C 117.132 1.613 . . . . 25.0 117.132 -171.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -68.65 116.04 4.23 Favored 'Trans proline' 0 N--CA 1.455 -0.763 1 C-N-CA 112.956 -4.229 . . . . 25.0 108.397 160.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.8 pt -99.21 140.04 19.56 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 114.568 -1.197 . . . . 25.0 109.683 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -83.41 107.26 15.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 122.931 1.348 . . . . 25.0 109.552 -176.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.2 m -123.37 160.88 26.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 114.225 -1.352 . . . . 25.0 108.111 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.5 m -98.74 149.71 22.57 Favored 'General case' 0 CA--C 1.504 -0.796 0 CA-C-O 121.175 0.512 . . . . 25.0 110.716 -178.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -63.49 -24.5 67.85 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.957 -0.565 . . . . 25.0 110.498 176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -91.68 1.66 57.0 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.907 -0.588 . . . . 25.0 112.289 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.8 ttt -72.78 142.33 48.08 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 107.708 -1.219 . . . . 25.0 107.708 179.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.26 154.05 33.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.707 -0.849 . . . . 25.0 108.707 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 40.3 tp -59.46 -38.86 81.88 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.17 -0.678 . . . . 25.0 109.17 174.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.1 p -64.26 -31.72 73.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.592 -0.276 . . . . 25.0 110.878 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -76.37 -37.3 57.43 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.415 -0.587 . . . . 25.0 109.415 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.2 tp -60.28 -47.75 84.66 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.841 -0.799 . . . . 25.0 108.841 174.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.6 mt -63.04 -31.5 52.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 121.996 -0.44 . . . . 25.0 110.989 177.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.77 91.79 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.937 -0.477 . . . . 25.0 110.457 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 38.6 tp -70.96 -43.25 68.5 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.003 0.43 . . . . 25.0 110.521 175.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.6 mt -63.28 -35.75 81.39 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.526 0.565 . . . . 25.0 112.526 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -75.82 -24.29 55.86 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 121.686 -0.634 . . . . 25.0 111.133 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.92 -42.96 25.81 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.113 0.412 . . . . 25.0 112.113 178.032 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -104.71 -49.17 3.59 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 -174.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.9 m -81.96 -2.58 51.93 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.912 0.708 . . . . 25.0 112.912 -177.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.97 21.51 78.28 Favored Glycine 0 CA--C 1.517 0.189 0 C-N-CA 121.337 -0.459 . . . . 25.0 113.314 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.9 t80 -65.53 141.83 58.33 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-O 121.261 0.553 . . . . 25.0 110.79 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -136.4 111.67 9.1 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 174.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -58.54 -11.93 3.49 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 115.21 1.559 . . . . 25.0 115.21 -179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.4 p -92.26 -23.51 19.29 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 113.149 0.796 . . . . 25.0 113.149 176.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mttm -111.86 -13.27 13.69 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-O 121.672 0.749 . . . . 25.0 111.26 -176.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -137.71 158.11 45.07 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.303 -0.862 . . . . 25.0 110.642 -173.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -122.28 149.25 43.97 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.45 -1.315 . . . . 25.0 107.45 176.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.4 136.12 36.16 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 104.739 -2.319 . . . . 25.0 104.739 174.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -119.79 139.68 51.95 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.487 -0.56 . . . . 25.0 109.487 179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -141.57 135.34 29.98 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 107.612 -1.255 . . . . 25.0 107.612 177.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 51.5 35.21 13.85 Favored 'General case' 0 CA--C 1.542 0.652 0 O-C-N 123.584 0.553 . . . . 25.0 111.528 -179.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.9 mtp 65.97 17.02 10.69 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 115.336 1.606 . . . . 25.0 115.336 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -124.49 167.56 14.28 Favored 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 108.543 -0.91 . . . . 25.0 108.543 175.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 54.3 mt -89.9 130.76 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 112.562 0.578 . . . . 25.0 112.562 -173.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.1 mt -93.62 120.56 34.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.671 -0.863 . . . . 25.0 108.671 172.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -73.87 116.97 15.1 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.399 -0.593 . . . . 25.0 109.399 177.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 79.6 p -61.98 -13.76 28.67 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 114.865 1.432 . . . . 25.0 114.865 -177.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.3 m-80 -86.65 -4.06 59.12 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.13 0.419 . . . . 25.0 112.13 -178.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -88.34 121.16 30.42 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-O 121.288 0.565 . . . . 25.0 111.34 -179.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.0 31.87 0.7 Allowed 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 113.05 0.759 . . . . 25.0 113.05 179.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 23.9 mt-30 -76.26 166.63 23.17 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.161 -1.051 . . . . 25.0 108.161 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 58.7 p -93.43 162.09 14.12 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.251 -1.018 . . . . 25.0 108.251 178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 25.4 mt -63.25 -28.73 70.23 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.191 -0.459 . . . . 25.0 110.466 -179.081 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.11 -41.53 79.16 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 123.033 0.533 . . . . 25.0 112.144 175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.48 -26.67 61.89 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.204 0.526 . . . . 25.0 110.535 -177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 48.1 mt -78.91 -15.71 57.97 Favored 'General case' 0 C--O 1.22 -0.489 0 CA-C-N 115.75 -0.659 . . . . 25.0 110.62 179.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.32 16.51 62.33 Favored Glycine 0 N--CA 1.459 0.227 0 CA-C-N 116.374 -0.375 . . . . 25.0 113.449 177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.3 mt -69.22 150.48 47.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.407 0.623 . . . . 25.0 111.649 -178.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -147.88 172.61 13.9 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -176.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.7 t -73.1 -12.16 60.8 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.736 0.779 . . . . 25.0 112.08 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -99.97 24.4 8.58 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.471 -0.786 . . . . 25.0 110.385 -178.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.71 167.57 12.32 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.028 1.121 . . . . 25.0 114.028 -176.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -141.36 140.69 33.78 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.801 -0.636 . . . . 25.0 111.088 -176.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -109.25 146.12 34.78 Favored 'General case' 0 N--CA 1.468 0.466 0 C-N-CA 122.861 0.464 . . . . 25.0 109.962 179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.0 mt -114.85 146.8 40.69 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.581 -0.526 . . . . 25.0 109.581 178.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 12.5 mm -113.0 118.84 59.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 106.677 -1.601 . . . . 25.0 106.677 177.031 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -116.05 150.81 36.7 Favored 'General case' 0 C--O 1.219 -0.551 0 N-CA-C 108.374 -0.973 . . . . 25.0 108.374 -175.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.23 144.72 17.41 Favored Glycine 0 N--CA 1.446 -0.675 0 N-CA-C 111.038 -0.825 . . . . 25.0 111.038 178.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -127.83 156.5 42.42 Favored 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 109.333 -0.618 . . . . 25.0 109.333 175.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.4 mp -88.18 115.13 27.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 121.1 0.476 . . . . 25.0 110.351 -176.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 7.2 m -78.1 144.08 36.81 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.838 -0.801 . . . . 25.0 108.838 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 48.81 69.45 0.57 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 115.126 1.528 . . . . 25.0 115.126 175.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.484 1.246 0 CA-C-O 126.643 3.116 . . . . 25.0 114.01 174.958 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 p-80 . . . . . 0 N--CA 1.502 2.162 0 CA-C-O 123.692 1.71 . . . . 25.0 114.28 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.9 mm -71.6 120.5 19.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.401 0 CA-C-N 114.263 -1.335 . . . . 25.0 109.224 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -102.85 176.18 5.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.482 -0.781 . . . . 25.0 109.111 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 156.09 -160.22 29.93 Favored Glycine 0 C--O 1.23 -0.101 0 C-N-CA 120.754 -0.736 . . . . 25.0 113.474 -179.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 55.7 mtm180 59.19 -126.23 1.29 Allowed 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.233 1.013 . . . . 25.0 112.085 -179.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 4.3 m170 -96.31 153.22 17.93 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 108.691 -0.855 . . . . 25.0 108.691 178.337 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.56 150.11 46.0 Favored 'General case' 0 N--CA 1.442 -0.864 0 N-CA-C 105.5 -2.037 . . . . 25.0 105.5 177.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -100.22 117.94 35.49 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 108.893 -0.78 . . . . 25.0 108.893 -177.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.8 mp -112.88 129.75 56.35 Favored 'General case' 0 CA--C 1.496 -1.109 0 N-CA-C 108.913 -0.773 . . . . 25.0 108.913 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.7 m -96.38 133.9 40.19 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 115.3 -0.864 . . . . 25.0 109.004 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.0 mm -112.95 136.43 49.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 108.632 -0.877 . . . . 25.0 108.632 -175.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.9 m -125.74 128.1 47.22 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.147 0.499 . . . . 25.0 111.692 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -88.3 96.34 10.54 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.35 -21.78 65.58 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.606 0.717 . . . . 25.0 111.662 -177.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -72.84 -36.87 67.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.0 p -111.45 -17.3 13.12 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.127 0.489 . . . . 25.0 112.165 -171.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.92 4.09 88.83 Favored Glycine 0 CA--C 1.518 0.25 0 CA-C-N 116.044 -0.525 . . . . 25.0 112.09 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -87.15 151.12 23.47 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.121 0.486 . . . . 25.0 110.923 -178.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 30.1 mm -114.07 128.62 70.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 107.077 -1.453 . . . . 25.0 107.077 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -93.3 175.8 6.63 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.847 -0.797 . . . . 25.0 108.847 179.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.43 153.56 52.62 Favored Glycine 0 CA--C 1.5 -0.877 0 N-CA-C 116.208 1.243 . . . . 25.0 116.208 -174.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.71 117.99 5.41 Favored 'Trans proline' 0 N--CA 1.458 -0.601 1 C-N-CA 112.955 -4.23 . . . . 25.0 108.132 160.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.6 pt -99.1 139.4 20.95 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 CA-C-N 115.318 -0.855 . . . . 25.0 110.651 -177.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -82.3 105.35 13.3 Favored 'General case' 0 C--O 1.24 0.573 0 CA-C-N 115.365 -0.834 . . . . 25.0 109.779 -177.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.2 m -124.68 168.07 17.84 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 178.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.5 t -109.22 154.13 22.83 Favored 'General case' 0 C--N 1.32 -0.709 0 O-C-N 122.105 -0.372 . . . . 25.0 110.498 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 25.6 pt-20 -63.2 -24.73 68.01 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.493 0.663 . . . . 25.0 110.134 174.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -88.29 -5.57 58.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.689 0.757 . . . . 25.0 111.778 -176.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -68.59 143.05 54.99 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.731 -1.211 . . . . 25.0 107.731 -179.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.63 152.01 39.27 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.143 -1.058 . . . . 25.0 108.143 177.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.79 -40.28 83.55 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.969 -0.752 . . . . 25.0 108.969 175.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 34.2 p -62.97 -35.1 79.03 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.045 0.45 . . . . 25.0 110.732 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -77.34 -34.1 55.28 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.068 -0.514 . . . . 25.0 110.123 -176.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.7 tp -59.07 -47.44 85.22 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.24 -1.022 . . . . 25.0 108.24 173.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.1 mt -65.33 -34.74 72.57 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 N-CA-C 109.832 -0.433 . . . . 25.0 109.832 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.64 -38.28 80.96 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.67 -0.644 . . . . 25.0 111.242 176.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 26.1 tp -67.97 -40.8 83.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.918 0.39 . . . . 25.0 109.989 175.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.8 mt -64.79 -29.17 70.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 122.141 -0.349 . . . . 25.0 111.668 178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -66.41 -35.59 80.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 122.009 -0.432 . . . . 25.0 110.089 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.09 -46.18 18.58 Favored 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 113.062 0.764 . . . . 25.0 113.062 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -90.09 -57.88 2.7 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.903 0.859 . . . . 25.0 112.71 -174.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 63.2 m -81.46 -4.75 56.75 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.666 0.988 . . . . 25.0 113.666 -176.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.36 23.82 71.92 Favored Glycine 0 CA--C 1.52 0.353 0 CA-C-O 121.645 0.581 . . . . 25.0 112.205 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -66.29 142.92 57.5 Favored 'General case' 0 C--O 1.21 -0.993 0 O-C-N 122.336 -0.508 . . . . 25.0 110.833 -176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -138.9 117.04 11.77 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 106.787 -1.56 . . . . 25.0 106.787 171.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.22 -15.13 1.38 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 115.035 1.495 . . . . 25.0 115.035 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 78.9 p -89.18 -27.01 20.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 121.427 -0.795 . . . . 25.0 112.665 177.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.3 mttm -105.68 -23.98 12.63 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.555 0.693 . . . . 25.0 110.545 -174.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.2 160.08 38.94 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 114.551 -1.204 . . . . 25.0 110.962 -175.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -118.7 149.02 42.14 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 106.226 -1.768 . . . . 25.0 106.226 175.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.3 tp -103.88 128.03 51.38 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 106.223 -1.769 . . . . 25.0 106.223 176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -113.14 139.19 48.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 120.953 0.406 . . . . 25.0 110.717 -176.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -147.1 135.77 22.03 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 178.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 15.0 t30 49.54 39.56 17.27 Favored 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.7 0.762 . . . . 25.0 111.569 -179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 69.1 mtp 62.66 16.66 9.08 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 115.65 1.722 . . . . 25.0 115.65 179.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -125.32 166.02 17.29 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 108.547 -0.909 . . . . 25.0 108.547 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.5 mt -92.29 128.32 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 121.21 0.529 . . . . 25.0 110.998 -176.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 77.2 mt -83.85 102.37 12.31 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.681 0.753 . . . . 25.0 110.045 175.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -61.9 122.45 15.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.096 -0.956 . . . . 25.0 109.783 176.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 12.2 m -69.23 -10.79 59.43 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.955 1.094 . . . . 25.0 113.955 -177.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -84.73 -0.32 53.24 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.0 0.429 . . . . 25.0 111.559 179.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.5 mtt85 -84.28 116.55 23.04 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 122.164 -0.335 . . . . 25.0 111.229 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.18 30.94 0.91 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.204 0.526 . . . . 25.0 112.07 176.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.81 166.51 23.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.199 -0.667 . . . . 25.0 109.199 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.6 m -94.96 156.68 16.22 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 106.784 -1.561 . . . . 25.0 106.784 176.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.4 mt -61.06 -29.99 70.06 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.884 0.373 . . . . 25.0 111.333 -177.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -60.94 -35.11 75.89 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.058 0.762 . . . . 25.0 113.058 176.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -74.76 -23.04 58.47 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.146 0.498 . . . . 25.0 110.123 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.5 mt -82.43 -20.53 36.82 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.718 -0.674 . . . . 25.0 109.331 177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 93.35 12.32 57.4 Favored Glycine 0 N--CA 1.457 0.05 0 CA-C-N 116.065 -0.516 . . . . 25.0 113.211 178.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 54.5 mt -67.88 147.56 52.34 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 122.389 0.275 . . . . 25.0 110.766 -179.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.453 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 10.3 ptpt -150.05 178.47 8.92 Favored 'General case' 0 C--O 1.213 -0.835 0 CA-C-N 116.109 -0.496 . . . . 25.0 111.119 -176.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -70.96 -5.18 29.0 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.924 1.453 . . . . 25.0 114.924 -177.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.453 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 40.0 m-20 -108.56 9.97 27.25 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.723 -0.473 . . . . 25.0 109.723 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -91.08 164.86 13.79 Favored 'General case' 0 C--O 1.238 0.468 0 N-CA-C 114.22 1.193 . . . . 25.0 114.22 -173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -140.93 131.89 26.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.573 -0.74 . . . . 25.0 111.521 -175.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -112.47 142.25 45.25 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.938 -0.574 . . . . 25.0 109.58 -177.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.4 mt -116.64 141.59 48.0 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.545 -0.298 . . . . 25.0 110.532 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 10.8 mm -106.17 119.27 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 106.936 -1.505 . . . . 25.0 106.936 178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 tpt180 -117.41 151.44 37.03 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 108.087 -1.079 . . . . 25.0 108.087 -176.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -87.8 144.62 18.95 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 109.525 -1.43 . . . . 25.0 109.525 176.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 4.6 mmmt -82.5 -96.81 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 121.734 0.778 . . . . 25.0 110.887 179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -81.74 131.16 34.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 106.376 -1.713 . . . . 25.0 106.376 178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 74.4 p -134.76 162.5 32.17 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 107.39 -1.337 . . . . 25.0 107.39 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -139.52 -40.39 0.46 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.636 0.732 . . . . 25.0 111.653 -178.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 7.5 m . . . . . 0 C--O 1.207 -1.179 0 N-CA-C 114.825 1.417 . . . . 25.0 114.825 -179.399 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 . . . . . 0 N--CA 1.492 1.647 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 5.3 mp -98.91 77.78 0.71 Allowed 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 N-CA-C 104.012 -2.588 . . . . 25.0 104.012 175.061 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -122.73 157.95 31.2 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.054 -0.976 . . . . 25.0 111.105 -169.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 140.06 -121.98 2.11 Favored Glycine 0 C--O 1.221 -0.657 0 N-CA-C 108.469 -1.852 . . . . 25.0 108.469 -179.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -65.91 -18.82 65.6 Favored 'General case' 0 N--CA 1.468 0.44 0 O-C-N 122.572 -0.37 . . . . 25.0 111.068 174.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 143.0 33.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.032 -1.84 . . . . 25.0 106.032 175.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.8 ptt? -144.27 149.55 36.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.07 -1.085 . . . . 25.0 108.07 -179.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -98.41 113.69 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 108.169 -1.049 . . . . 25.0 108.169 -176.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.2 mp -112.6 128.98 56.52 Favored 'General case' 0 CA--C 1.492 -1.253 0 N-CA-C 107.359 -1.349 . . . . 25.0 107.359 178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.9 m -95.0 134.78 37.3 Favored 'General case' 0 C--N 1.313 -1.012 0 CA-C-N 114.849 -1.069 . . . . 25.0 108.81 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.8 mm -109.67 131.23 61.15 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 N-CA-C 107.959 -1.126 . . . . 25.0 107.959 -176.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.1 t -130.43 127.25 38.89 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.412 0.625 . . . . 25.0 111.459 -178.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -84.42 106.3 15.9 Favored 'General case' 0 N--CA 1.437 -1.095 0 N-CA-C 113.659 0.985 . . . . 25.0 113.659 -179.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.07 -9.89 59.02 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 112.159 0.429 . . . . 25.0 112.159 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.8 mt -90.37 -43.49 10.28 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.039 0.385 . . . . 25.0 112.039 178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.4 p -102.82 -16.46 15.92 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.921 0.711 . . . . 25.0 112.921 -174.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.49 1.04 89.39 Favored Glycine 0 CA--C 1.517 0.18 0 CA-C-N 116.49 -0.323 . . . . 25.0 112.782 -179.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -84.26 145.67 28.18 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.504 0.669 . . . . 25.0 112.377 -176.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.0 mm -104.55 124.64 59.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 108.114 -1.069 . . . . 25.0 108.114 179.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -94.13 172.27 8.32 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 106.73 -1.582 . . . . 25.0 106.73 175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.63 154.76 50.51 Favored Glycine 0 CA--C 1.495 -1.169 0 N-CA-C 117.255 1.662 . . . . 25.0 117.255 -171.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -70.63 119.69 6.53 Favored 'Trans proline' 0 CA--C 1.507 -0.86 1 C-N-CA 112.348 -4.635 . . . . 25.0 108.624 160.123 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -100.12 139.01 22.64 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 CA-C-N 113.283 -1.781 . . . . 25.0 108.831 -178.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -82.08 102.39 10.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 107.484 -1.302 . . . . 25.0 107.484 -179.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.0 m -118.76 164.89 14.6 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.976 0 N-CA-C 107.159 -1.423 . . . . 25.0 107.159 -179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.9 t -105.07 150.53 24.91 Favored 'General case' 0 C--N 1.317 -0.848 0 N-CA-C 112.319 0.489 . . . . 25.0 112.319 -175.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -62.65 -26.99 68.92 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.89 -0.782 . . . . 25.0 108.89 173.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.223 -0.899 . . . . 25.0 111.615 -174.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.8 ttt -76.72 141.44 40.87 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.119 -1.437 . . . . 25.0 107.119 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.26 154.45 30.96 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 177.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.0 tp -59.48 -38.31 80.53 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.457 -0.571 . . . . 25.0 109.457 175.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -63.89 -32.6 74.18 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 121.024 -0.27 . . . . 25.0 111.118 179.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -77.69 -34.42 52.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.541 0.21 . . . . 25.0 110.848 177.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.84 -48.87 79.83 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 174.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.92 -34.76 68.0 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.658 0 C-N-CA 120.713 -0.395 . . . . 25.0 110.075 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.57 -42.12 91.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 121.641 -0.662 . . . . 25.0 110.794 177.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.94 -43.11 84.06 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 109.91 -0.404 . . . . 25.0 109.91 176.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.08 -29.93 71.03 Favored 'General case' 0 C--O 1.217 -0.614 0 N-CA-C 112.181 0.437 . . . . 25.0 112.181 -178.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -65.12 -36.47 84.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 122.384 -0.198 . . . . 25.0 110.945 175.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -82.56 -45.61 14.41 Favored 'General case' 0 CA--C 1.54 0.59 0 N-CA-C 113.181 0.808 . . . . 25.0 113.181 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -86.52 -52.98 5.24 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.9 0.857 . . . . 25.0 112.259 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 68.5 m -95.69 0.79 53.01 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 114.365 1.246 . . . . 25.0 114.365 -175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.64 22.68 70.07 Favored Glycine 0 CA--C 1.521 0.434 0 C-N-CA 121.446 -0.407 . . . . 25.0 113.795 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -68.77 145.5 53.74 Favored 'General case' 0 C--O 1.207 -1.152 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -138.98 112.34 8.15 Favored 'General case' 0 C--O 1.212 -0.871 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 174.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -56.74 -13.46 2.54 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 115.205 1.557 . . . . 25.0 115.205 -179.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.7 p -93.64 -19.4 21.18 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 113.732 1.012 . . . . 25.0 113.732 177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -117.54 -16.0 10.19 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.556 0.693 . . . . 25.0 110.533 -176.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.1 m80 -134.87 161.27 35.71 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 114.966 -1.015 . . . . 25.0 109.588 -176.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.7 149.82 50.04 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 108.689 -0.856 . . . . 25.0 108.689 -178.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -108.8 135.32 50.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 107.923 -1.14 . . . . 25.0 107.923 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -121.93 142.56 50.16 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.07 0.462 . . . . 25.0 111.006 -179.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -141.96 134.98 28.9 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 106.951 -1.499 . . . . 25.0 106.951 173.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 54.01 31.09 12.93 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.144 0.578 . . . . 25.0 110.978 -176.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.9 mtp 64.74 15.5 9.82 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.989 1.478 . . . . 25.0 114.989 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -115.37 162.12 17.58 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.341 -1.355 . . . . 25.0 107.341 173.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.9 mt -85.84 128.99 38.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.112 0.482 . . . . 25.0 111.498 -174.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.0 mt -85.02 117.12 23.8 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.739 -0.837 . . . . 25.0 108.739 174.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -70.87 116.98 11.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.102 -0.703 . . . . 25.0 109.102 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 78.5 p -65.47 -12.1 49.44 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.068 1.136 . . . . 25.0 114.068 -177.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -89.46 -1.33 58.01 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.295 -0.162 . . . . 25.0 111.345 -178.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.5 mtt-85 -82.07 115.82 21.38 Favored 'General case' 0 C--O 1.219 -0.529 0 O-C-N 122.13 -0.356 . . . . 25.0 110.232 177.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.86 32.01 0.68 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 112.378 0.51 . . . . 25.0 112.378 176.374 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -79.85 165.46 22.68 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.118 -1.068 . . . . 25.0 108.118 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -87.64 157.05 19.2 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 106.562 -1.644 . . . . 25.0 106.562 178.116 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 57.3 mt -61.57 -31.31 71.35 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.185 0.516 . . . . 25.0 110.221 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 24.4 tttp -56.7 -40.04 74.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.568 -0.742 . . . . 25.0 112.551 174.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -76.93 -17.7 58.75 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 25.0 111.152 -175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 66.9 mt -86.48 -9.5 56.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.728 -0.669 . . . . 25.0 109.381 176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.31 20.33 59.0 Favored Glycine 0 N--CA 1.454 -0.148 0 CA-C-N 115.394 -0.821 . . . . 25.0 112.832 178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 62.7 mt -76.33 148.16 37.66 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.047 0.451 . . . . 25.0 111.934 -178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 2.8 ptpp? -147.21 173.03 12.92 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 123.75 0.82 . . . . 25.0 109.368 -177.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 11.0 t -68.96 2.99 2.24 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 115.485 1.661 . . . . 25.0 115.485 -178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -111.38 6.78 20.59 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.693 0.759 . . . . 25.0 109.26 -177.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 -94.11 149.79 20.91 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 114.487 1.292 . . . . 25.0 114.487 -177.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 6.9 tt -124.56 134.38 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 114.096 -1.411 . . . . 25.0 107.461 174.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.45 146.07 36.55 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.62 -0.881 . . . . 25.0 108.62 -176.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.0 mt -113.69 139.97 48.63 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.044 0.45 . . . . 25.0 112.092 -177.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.72 121.67 59.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.911 -0.774 . . . . 25.0 108.911 178.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 mmt180 -120.53 177.14 5.17 Favored 'General case' 0 C--O 1.216 -0.66 0 N-CA-C 108.745 -0.835 . . . . 25.0 108.745 179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.28 146.17 18.64 Favored Glycine 0 CA--C 1.509 -0.309 0 N-CA-C 111.482 -0.647 . . . . 25.0 111.482 -178.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -72.68 131.79 42.86 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.027 -1.472 . . . . 25.0 107.027 175.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.46 126.78 36.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 N-CA-C 109.506 -0.553 . . . . 25.0 109.506 -178.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 75.6 p -153.25 170.35 20.81 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.018 -1.845 . . . . 25.0 106.018 178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.9 t30 -157.81 -57.26 0.08 Allowed 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 121.881 0.848 . . . . 25.0 110.939 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 C--O 1.209 -1.037 0 CA-C-O 124.33 2.014 . . . . 25.0 110.966 178.151 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.4 m80 . . . . . 0 N--CA 1.491 1.577 0 CA-C-O 121.688 0.756 . . . . 25.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 74.9 mt -130.94 142.77 42.75 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 N-CA-C 106.054 -1.832 . . . . 25.0 106.054 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -117.53 137.72 52.38 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.934 -0.765 . . . . 25.0 108.934 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -95.24 3.1 66.19 Favored Glycine 0 C--O 1.217 -0.929 0 C-N-CA 120.97 -0.633 . . . . 25.0 113.437 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 ptt180 -87.56 8.92 22.92 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.508 0.558 . . . . 25.0 112.508 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -134.85 141.77 46.45 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.68 -0.859 . . . . 25.0 108.68 -179.198 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.1 ptt? -145.44 150.88 37.32 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 108.768 -0.827 . . . . 25.0 108.768 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -102.78 114.93 29.59 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.476 -0.935 . . . . 25.0 108.476 -177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.5 mp -110.6 134.84 52.05 Favored 'General case' 0 CA--C 1.499 -0.992 0 N-CA-C 108.387 -0.968 . . . . 25.0 108.387 179.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.0 m -96.84 141.55 29.9 Favored 'General case' 0 C--N 1.314 -0.945 0 N-CA-C 108.952 -0.759 . . . . 25.0 108.952 -178.461 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.2 mm -116.08 136.61 52.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 N-CA-C 108.343 -0.984 . . . . 25.0 108.343 -176.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.0 t -141.07 141.29 34.27 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.359 0.6 . . . . 25.0 111.901 179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -90.45 115.47 27.64 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 113.851 1.056 . . . . 25.0 113.851 -179.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -72.01 -21.76 61.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.13 0.491 . . . . 25.0 110.075 177.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.3 mt -84.22 -39.33 19.44 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 114.077 1.14 . . . . 25.0 114.077 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.7 p -112.83 -14.76 13.03 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.161 0.8 . . . . 25.0 113.161 -171.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.29 -0.67 89.58 Favored Glycine 0 C--O 1.226 -0.36 0 CA-C-N 116.237 -0.438 . . . . 25.0 112.517 -177.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -68.6 149.79 48.75 Favored 'General case' 0 C--O 1.241 0.644 0 CA-C-O 121.738 0.78 . . . . 25.0 112.193 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.9 mm -115.46 124.86 72.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 N-CA-C 107.118 -1.438 . . . . 25.0 107.118 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 54.7 m-85 -107.07 171.93 7.1 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 107.019 -1.475 . . . . 25.0 107.019 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.4 151.24 49.5 Favored Glycine 0 CA--C 1.493 -1.287 0 N-CA-C 119.096 2.398 . . . . 25.0 119.096 -168.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.9 119.57 6.29 Favored 'Trans proline' 0 CA--C 1.502 -1.1 1 C-N-CA 111.358 -5.295 . . . . 25.0 108.443 159.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.2 pt -103.28 140.53 21.25 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.553 0 CA-C-N 111.77 -2.468 . . . . 25.0 110.67 -176.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.01 105.02 16.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.394 -1.276 . . . . 25.0 108.228 -175.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -124.58 167.72 18.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.435 -177.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -110.88 149.69 30.24 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.264 0.554 . . . . 25.0 111.661 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -60.5 -28.2 68.19 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 113.354 0.872 . . . . 25.0 113.354 -179.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.4 p-10 -94.59 3.49 55.03 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 122.741 0.416 . . . . 25.0 112.036 -176.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.0 ttt -66.94 140.94 57.77 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 106.892 -1.521 . . . . 25.0 106.892 175.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.01 154.16 31.73 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.34 -0.985 . . . . 25.0 108.34 179.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 49.9 tp -59.27 -38.89 81.24 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.458 -0.571 . . . . 25.0 109.458 175.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.1 p -63.57 -31.3 72.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 122.271 -0.268 . . . . 25.0 111.28 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 48.5 m-20 -76.03 -39.42 55.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 -179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.6 tp -60.69 -48.51 81.45 Favored 'General case' 0 C--O 1.219 -0.524 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.39 -31.72 53.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 121.746 -0.596 . . . . 25.0 110.962 178.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.57 -40.43 91.62 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 121.739 -0.601 . . . . 25.0 110.042 175.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 52.2 tp -69.27 -39.7 78.25 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.35 -0.241 . . . . 25.0 110.35 176.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.79 -34.09 77.12 Favored 'General case' 0 C--O 1.217 -0.629 0 O-C-N 122.105 -0.372 . . . . 25.0 111.751 178.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 38.0 mt-30 -66.41 -34.88 78.95 Favored 'General case' 0 C--N 1.321 -0.665 0 O-C-N 121.924 -0.485 . . . . 25.0 111.3 175.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -43.63 23.88 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 112.972 0.73 . . . . 25.0 112.972 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -95.61 -57.7 2.31 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.131 0.789 . . . . 25.0 113.131 -175.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -80.23 -6.53 57.99 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.843 0.683 . . . . 25.0 112.843 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.65 28.0 72.69 Favored Glycine 0 CA--C 1.517 0.21 0 N-CA-C 111.784 -0.527 . . . . 25.0 111.784 -178.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -76.36 104.15 6.74 Favored 'General case' 0 C--O 1.216 -0.66 0 O-C-N 121.948 -0.736 . . . . 25.0 109.766 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -84.76 106.36 16.24 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.177 -1.046 . . . . 25.0 108.177 175.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -65.7 -7.29 14.7 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 114.604 1.335 . . . . 25.0 114.604 -175.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.2 t -93.33 -21.98 19.24 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 121.796 -0.565 . . . . 25.0 112.017 175.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 54.5 mttm -101.92 -25.06 13.92 Favored 'General case' 0 N--CA 1.473 0.699 0 CA-C-O 121.544 0.688 . . . . 25.0 109.972 178.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.7 m170 -127.65 163.85 23.34 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.832 -1.076 . . . . 25.0 110.32 -170.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -127.32 149.47 50.03 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 179.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 60.8 tp -98.09 131.63 44.32 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 105.698 -1.964 . . . . 25.0 105.698 178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -116.11 141.8 47.66 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.15 0.5 . . . . 25.0 111.623 -176.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -144.12 134.33 24.34 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 107.789 -1.189 . . . . 25.0 107.789 176.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.7 t30 52.06 36.68 19.44 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-O 121.641 0.734 . . . . 25.0 110.961 -177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.8 mtp 61.9 16.51 8.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.473 1.657 . . . . 25.0 115.473 -179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -121.75 166.48 14.25 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 175.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.8 mt -87.91 127.38 41.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 112.536 0.569 . . . . 25.0 112.536 -174.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 81.0 mt -86.76 104.3 16.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 169.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -63.82 117.22 6.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.314 -0.857 . . . . 25.0 110.337 -178.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.5 m -65.29 -7.07 11.55 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 115.523 1.675 . . . . 25.0 115.523 -176.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -86.22 -20.45 28.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 122.349 -0.22 . . . . 25.0 111.035 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -73.17 140.3 46.92 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.632 0.73 . . . . 25.0 111.606 -179.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.7 p -111.28 30.94 6.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.508 -178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -74.28 165.19 25.6 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.6 161.57 14.53 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 107.311 -1.366 . . . . 25.0 107.311 -179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 41.3 mt -60.68 -32.58 71.79 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.971 0.415 . . . . 25.0 111.274 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 54.3 tttt -60.32 -37.35 80.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 113.403 0.89 . . . . 25.0 113.403 176.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mm-40 -69.13 -25.29 64.31 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.387 0.613 . . . . 25.0 110.321 -178.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.7 mt -85.95 -9.98 55.95 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.489 -0.778 . . . . 25.0 110.185 -179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.83 23.92 56.71 Favored Glycine 0 C--O 1.237 0.281 0 CA-C-N 115.902 -0.59 . . . . 25.0 113.595 178.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 65.5 mt -76.05 155.01 35.23 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.036 0.445 . . . . 25.0 111.61 -179.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -152.31 171.65 17.67 Favored 'General case' 0 C--O 1.213 -0.827 0 CA-C-N 115.631 -0.713 . . . . 25.0 109.136 -174.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.9 t -72.02 -5.61 36.33 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.878 1.066 . . . . 25.0 113.878 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -100.66 10.1 41.6 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.624 -0.716 . . . . 25.0 109.639 -177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.75 161.29 15.03 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 118.093 2.627 . . . . 25.0 118.093 -170.401 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -134.13 138.94 45.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.388 -1.278 . . . . 25.0 111.072 -178.453 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -112.09 143.0 43.84 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 71.2 mt -110.29 141.64 42.99 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.439 0.533 . . . . 25.0 112.439 -178.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 39.0 mm -101.14 116.08 44.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 107.718 -1.216 . . . . 25.0 107.718 175.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.41 159.74 22.28 Favored 'General case' 0 C--O 1.211 -0.97 0 N-CA-C 109.444 -0.576 . . . . 25.0 109.444 -177.189 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.06 145.58 15.94 Favored Glycine 0 CA--C 1.504 -0.647 0 N-CA-C 109.954 -1.258 . . . . 25.0 109.954 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 41.4 pttt -123.07 155.93 35.92 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.286 -0.635 . . . . 25.0 109.286 177.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 66.9 mt -114.85 95.18 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 107.972 -1.122 . . . . 25.0 107.972 -177.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 5.7 m -78.79 42.79 0.47 Allowed 'General case' 0 CA--C 1.538 0.502 0 N-CA-C 113.137 0.792 . . . . 25.0 113.137 -177.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -96.13 136.45 36.58 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.323 0.582 . . . . 25.0 111.015 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.7 m . . . . . 0 C--O 1.215 -0.719 0 CA-C-O 124.847 2.26 . . . . 25.0 112.317 176.775 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 t60 . . . . . 0 N--CA 1.483 1.222 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.5 mm -115.94 116.99 54.1 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 N-CA-C 106.425 -1.695 . . . . 25.0 106.425 177.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -131.06 166.62 20.65 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.667 -1.235 . . . . 25.0 107.667 -178.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.26 11.37 72.55 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 107.948 -2.061 . . . . 25.0 107.948 -171.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.67 153.8 42.89 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.204 -0.998 . . . . 25.0 111.219 -176.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -83.63 153.05 24.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.501 -0.772 . . . . 25.0 109.848 175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 11.0 ptt? -139.08 164.37 29.97 Favored 'General case' 0 C--N 1.313 -0.987 0 N-CA-C 102.15 -3.278 . . . . 25.0 102.15 169.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.18 133.73 54.73 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.545 -0.909 . . . . 25.0 108.545 177.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 72.3 mt -117.97 127.5 53.89 Favored 'General case' 0 CA--C 1.494 -1.2 0 CA-C-N 115.417 -0.81 . . . . 25.0 109.719 -174.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.5 m -89.81 132.82 35.05 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 108.338 -0.986 . . . . 25.0 108.338 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.1 mm -108.21 130.38 60.88 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.1 t -123.11 127.94 49.42 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.104 0.478 . . . . 25.0 110.13 179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -91.73 97.37 10.97 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 109.499 -0.556 . . . . 25.0 109.499 -179.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.62 -19.64 62.48 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 122.068 0.937 . . . . 25.0 111.045 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.0 mt -75.32 -29.9 60.15 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.938 1.088 . . . . 25.0 113.938 179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.1 p -122.97 -16.42 7.06 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.546 0.573 . . . . 25.0 112.546 -171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.04 -1.0 89.29 Favored Glycine 0 C--O 1.226 -0.361 0 CA-C-N 116.058 -0.519 . . . . 25.0 112.233 -176.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -79.14 152.91 30.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.45 0.643 . . . . 25.0 112.253 -178.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.7 mm -115.96 122.0 68.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 107.282 -1.377 . . . . 25.0 107.282 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -96.83 173.2 7.42 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 107.131 -1.433 . . . . 25.0 107.131 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.76 51.94 Favored Glycine 0 CA--C 1.498 -1.003 0 N-CA-C 117.547 1.779 . . . . 25.0 117.547 -170.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -69.79 115.86 4.29 Favored 'Trans proline' 0 N--CA 1.458 -0.563 1 C-N-CA 113.089 -4.141 . . . . 25.0 108.81 160.051 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.7 pt -97.99 136.03 30.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.253 0 CA-C-N 114.58 -1.191 . . . . 25.0 111.123 -176.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -82.16 109.38 16.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.052 -0.976 . . . . 25.0 109.038 -175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 21.1 m -126.63 167.4 21.35 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 114.138 -1.392 . . . . 25.0 108.37 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.3 m -108.78 153.29 23.7 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.038 0.446 . . . . 25.0 110.81 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -61.86 -29.07 69.94 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.172 -0.467 . . . . 25.0 111.988 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -96.39 5.3 51.18 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.096 0.474 . . . . 25.0 111.338 -175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.3 ttt -67.19 140.43 57.46 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.333 -1.729 . . . . 25.0 106.333 174.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 153.65 37.62 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 107.98 -1.119 . . . . 25.0 107.98 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 62.6 tp -59.99 -37.88 80.97 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.53 -0.544 . . . . 25.0 109.53 176.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 22.1 p -61.97 -34.27 75.83 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.321 -0.237 . . . . 25.0 110.815 178.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -75.89 -38.05 58.2 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.98 0.419 . . . . 25.0 109.9 -179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -59.92 -49.63 76.95 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.538 -0.912 . . . . 25.0 108.538 174.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.9 mt -64.04 -33.69 63.9 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 C-N-CA 120.665 -0.414 . . . . 25.0 110.099 179.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.404 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.47 -39.4 79.86 Favored 'General case' 0 C--N 1.32 -0.675 0 O-C-N 121.708 -0.62 . . . . 25.0 111.029 176.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -68.42 -41.02 80.97 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 25.0 109.854 176.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.0 mt -65.11 -31.13 72.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.172 -0.33 . . . . 25.0 111.813 178.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.404 HE21 ' HA ' ' A' ' 130' ' ' ALA . 44.7 mt-30 -69.58 -35.15 75.09 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 122.055 -0.403 . . . . 25.0 110.333 177.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.63 -43.05 27.18 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.454 0.538 . . . . 25.0 112.454 -178.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -96.05 -57.99 2.2 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.668 0.988 . . . . 25.0 113.668 -174.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 52.3 m -80.63 -4.4 54.03 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 113.914 1.079 . . . . 25.0 113.914 -173.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 69.41 23.36 76.48 Favored Glycine 0 C--O 1.24 0.525 0 C-N-CA 121.07 -0.586 . . . . 25.0 112.479 -179.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 83.8 t80 -69.89 145.77 51.74 Favored 'General case' 0 C--O 1.212 -0.917 0 N-CA-C 109.182 -0.673 . . . . 25.0 109.182 -179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -138.89 121.59 16.38 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 106.612 -1.625 . . . . 25.0 106.612 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -16.37 4.63 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.415 1.265 . . . . 25.0 114.415 179.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 74.7 p -91.41 -29.45 17.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.232 0.827 . . . . 25.0 113.232 178.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 45.9 mtpt -102.36 -23.49 13.96 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 121.602 0.715 . . . . 25.0 110.989 -175.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -132.18 162.1 31.73 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.359 -0.837 . . . . 25.0 109.792 -172.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.79 146.95 45.98 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.693 -1.595 . . . . 25.0 106.693 175.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.5 tp -103.48 129.18 50.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 104.607 -2.368 . . . . 25.0 104.607 176.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -115.25 139.33 50.04 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.006 0.431 . . . . 25.0 111.182 -174.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -143.03 136.66 28.62 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.424 -1.695 . . . . 25.0 106.424 176.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 54.16 31.79 14.64 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-O 121.742 0.782 . . . . 25.0 110.298 -175.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.3 mtp 59.81 21.48 10.34 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 114.985 1.476 . . . . 25.0 114.985 -178.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -123.66 163.34 21.26 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 173.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.5 mt -81.6 127.16 39.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.136 0.493 . . . . 25.0 111.839 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.9 mt -83.07 116.71 22.42 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 171.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -69.46 106.53 3.0 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.619 -0.719 . . . . 25.0 110.888 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.8 t -60.06 -12.36 8.07 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 115.048 1.499 . . . . 25.0 115.048 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -85.08 -5.66 59.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.182 -0.324 . . . . 25.0 111.153 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -88.0 142.45 27.78 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 121.332 0.587 . . . . 25.0 111.289 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.9 p -107.1 31.83 5.06 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.233 -0.894 . . . . 25.0 109.551 178.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 41.4 mt-30 -73.48 164.7 26.3 Favored 'General case' 0 CA--C 1.51 -0.569 0 N-CA-C 106.733 -1.58 . . . . 25.0 106.733 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.6 p -94.05 160.85 14.53 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 107.485 -1.302 . . . . 25.0 107.485 177.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.9 mt -62.52 -29.09 70.3 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.306 0.574 . . . . 25.0 110.967 -177.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -58.48 -40.17 81.98 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 124.06 0.944 . . . . 25.0 112.657 176.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -72.1 -27.68 62.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.809 -0.632 . . . . 25.0 110.786 -178.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.3 mt -79.39 -13.63 59.48 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.539 -0.755 . . . . 25.0 110.524 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.37 16.91 59.72 Favored Glycine 0 C--O 1.234 0.136 0 CA-C-N 116.059 -0.519 . . . . 25.0 112.455 177.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.2 mt -71.55 146.05 48.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.56 0.695 . . . . 25.0 111.425 -178.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 18.8 pttm -147.98 171.08 16.37 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 105.744 -1.947 . . . . 25.0 105.744 -176.351 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -70.6 -10.0 58.27 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 122.186 0.993 . . . . 25.0 112.487 -177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -89.69 1.9 55.47 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 115.029 -0.987 . . . . 25.0 111.6 -177.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -98.38 151.17 20.83 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 115.732 1.753 . . . . 25.0 115.732 -175.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.8 tt -121.86 138.47 54.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.03 -1.441 . . . . 25.0 107.854 175.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.86 145.29 38.5 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.949 -0.76 . . . . 25.0 108.949 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.2 mt -111.07 136.94 49.35 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.708 0.29 . . . . 25.0 111.68 -179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.9 118.0 45.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 107.12 -1.437 . . . . 25.0 107.12 173.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -118.96 153.18 35.05 Favored 'General case' 0 C--O 1.213 -0.817 0 N-CA-C 107.33 -1.359 . . . . 25.0 107.33 -177.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.96 144.44 15.82 Favored Glycine 0 N--CA 1.449 -0.44 0 CA-C-O 121.741 0.634 . . . . 25.0 112.085 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 40.1 pttt -127.83 158.0 38.91 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.04 -0.58 . . . . 25.0 110.435 176.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -97.48 109.91 24.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 N-CA-C 106.28 -1.748 . . . . 25.0 106.28 177.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 11.8 p -62.9 -34.15 76.82 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.492 0.663 . . . . 25.0 111.011 -178.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -95.1 73.43 3.41 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.641 0.734 . . . . 25.0 109.184 -178.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.5 t . . . . . 0 C--O 1.212 -0.876 0 CA-C-O 124.827 2.251 . . . . 25.0 111.809 179.39 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 79.5 m-70 . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 122.278 1.037 . . . . 25.0 113.588 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.6 pt -102.94 163.48 3.6 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.457 -0.792 . . . . 25.0 110.397 -179.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -72.34 164.45 26.29 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.257 -0.646 . . . . 25.0 109.257 177.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 173.69 -140.72 5.67 Favored Glycine 0 C--O 1.222 -0.637 0 N-CA-C 110.064 -1.214 . . . . 25.0 110.064 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -77.01 16.68 0.52 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.691 0.745 . . . . 25.0 112.646 176.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.44 131.15 53.97 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 101.522 -3.51 . . . . 25.0 101.522 174.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 12.4 ptt? -131.23 149.21 52.67 Favored 'General case' 0 N--CA 1.444 -0.731 0 N-CA-C 108.889 -0.782 . . . . 25.0 108.889 -176.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -92.95 113.01 25.17 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.036 -0.984 . . . . 25.0 108.528 -177.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.5 mt -107.04 125.67 51.34 Favored 'General case' 0 CA--C 1.496 -1.106 0 N-CA-C 106.716 -1.587 . . . . 25.0 106.716 173.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 36.8 m -94.29 136.55 34.46 Favored 'General case' 0 C--N 1.314 -0.973 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 -178.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 18.0 mm -114.3 137.39 47.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 108.489 -0.93 . . . . 25.0 108.489 -174.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.9 t -136.24 136.91 40.26 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.686 0.755 . . . . 25.0 110.446 174.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.403 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 5.0 m-20 -94.63 103.44 15.37 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.601 -0.727 . . . . 25.0 109.399 -178.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -59.37 -26.1 64.81 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.64 -0.709 . . . . 25.0 111.694 -178.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.5 mp -74.49 -37.09 63.24 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 113.877 1.066 . . . . 25.0 113.877 -178.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.0 p -110.45 -15.49 13.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.896 -0.593 . . . . 25.0 112.014 -171.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.47 8.23 87.3 Favored Glycine 0 C--O 1.228 -0.263 0 CA-C-N 116.195 -0.457 . . . . 25.0 112.445 -176.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -75.52 151.71 37.92 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 113.228 0.825 . . . . 25.0 113.228 -177.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.8 mm -118.36 113.64 42.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 105.922 -1.881 . . . . 25.0 105.922 175.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -94.19 173.14 7.8 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 107.561 -1.274 . . . . 25.0 107.561 179.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.46 154.38 52.4 Favored Glycine 0 CA--C 1.495 -1.16 0 N-CA-C 115.626 1.01 . . . . 25.0 115.626 -173.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -69.95 124.09 10.67 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.021 -5.519 . . . . 25.0 108.611 160.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 16.6 pt -101.06 130.94 49.68 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.389 0 CA-C-N 113.142 -1.845 . . . . 25.0 108.92 -178.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -82.05 104.74 12.61 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.732 -1.211 . . . . 25.0 107.732 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.7 m -120.32 163.76 17.5 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.044 0 N-CA-C 106.293 -1.743 . . . . 25.0 106.293 -178.517 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.0 t -95.2 152.61 18.21 Favored 'General case' 0 C--N 1.315 -0.896 0 C-N-CA 119.387 -0.925 . . . . 25.0 109.622 -178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -64.39 -25.34 67.98 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-O 122.082 0.944 . . . . 25.0 108.541 172.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -89.76 3.0 54.16 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-N 114.444 -1.253 . . . . 25.0 111.29 -175.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.0 ttt -78.25 143.62 36.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 106.918 -1.512 . . . . 25.0 106.918 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.85 155.5 38.71 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.873 -0.788 . . . . 25.0 108.873 177.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -59.45 -40.31 86.44 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 107.938 -1.134 . . . . 25.0 107.938 174.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 32.4 p -67.0 -30.8 71.0 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.028 -0.533 . . . . 25.0 111.053 -178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 79.2 m-20 -77.18 -34.75 56.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.186 0.517 . . . . 25.0 109.896 -178.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.4 tp -60.24 -47.01 87.79 Favored 'General case' 0 C--O 1.222 -0.344 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 76.2 mt -62.92 -37.2 78.63 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 CA-C-N 116.38 -0.373 . . . . 25.0 110.62 178.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.78 -40.13 79.13 Favored 'General case' 0 C--N 1.317 -0.826 0 C-N-CA 120.622 -0.431 . . . . 25.0 111.066 178.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 28.1 tp -67.18 -40.47 86.55 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 109.994 -0.373 . . . . 25.0 109.994 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.1 mt -64.1 -29.54 70.66 Favored 'General case' 0 C--O 1.217 -0.643 0 N-CA-C 112.167 0.432 . . . . 25.0 112.167 178.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -63.47 -41.91 98.59 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 118.21 0.459 . . . . 25.0 109.88 176.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.1 -45.19 20.55 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.156 0.798 . . . . 25.0 113.156 -176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -88.66 -45.45 9.83 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.115 0.783 . . . . 25.0 113.115 -173.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.2 m -100.21 -1.63 35.99 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 113.363 0.875 . . . . 25.0 113.363 -174.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.35 24.61 73.64 Favored Glycine 0 CA--C 1.521 0.442 0 C-N-CA 121.732 -0.271 . . . . 25.0 113.444 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -66.95 137.06 56.25 Favored 'General case' 0 C--O 1.219 -0.547 0 O-C-N 122.067 -0.667 . . . . 25.0 111.536 -177.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -132.89 114.59 14.22 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 106.186 -1.783 . . . . 25.0 106.186 175.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -63.92 -8.83 12.45 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 -177.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 44.7 p -89.73 -25.64 21.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 112.691 0.626 . . . . 25.0 112.691 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -108.13 -21.09 12.93 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-O 121.517 0.675 . . . . 25.0 110.88 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -133.92 159.98 39.06 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 114.634 -1.166 . . . . 25.0 109.846 -176.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -130.79 153.64 48.84 Favored 'General case' 0 C--O 1.242 0.688 0 N-CA-C 106.301 -1.74 . . . . 25.0 106.301 177.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 61.6 tp -98.76 134.12 42.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 -179.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -121.05 141.44 50.76 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.044 0.449 . . . . 25.0 111.16 -177.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -144.34 134.77 24.56 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.643 -1.243 . . . . 25.0 107.643 175.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 53.31 33.81 16.45 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.296 0.569 . . . . 25.0 111.565 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 73.4 mtp 64.6 19.63 11.88 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 114.683 1.364 . . . . 25.0 114.683 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -122.71 166.3 15.14 Favored 'General case' 0 N--CA 1.469 0.496 0 N-CA-C 108.093 -1.077 . . . . 25.0 108.093 175.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.9 mt -93.65 125.55 46.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 C-N-CA 123.101 0.56 . . . . 25.0 112.47 -172.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.8 mt -92.97 95.94 9.8 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.866 0.841 . . . . 25.0 108.756 173.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -59.96 128.76 38.46 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.196 -0.911 . . . . 25.0 109.784 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.4 m -69.81 -5.9 28.67 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 114.575 1.324 . . . . 25.0 114.575 -176.245 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 12.2 t30 -94.06 1.39 56.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.843 0.354 . . . . 25.0 110.824 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 61.6 mtp85 -83.73 126.14 32.6 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 121.82 -0.55 . . . . 25.0 110.344 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 68.4 p -97.4 30.33 2.9 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 121.895 -0.503 . . . . 25.0 112.046 -178.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -79.3 166.96 21.55 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.242 -0.651 . . . . 25.0 109.242 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 6.9 m -94.41 157.53 15.97 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 106.141 -1.8 . . . . 25.0 106.141 176.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.29 -30.33 71.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.132 0.491 . . . . 25.0 112.215 -177.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.24 -24.94 65.87 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 178.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -73.6 -28.28 61.74 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.169 0.509 . . . . 25.0 110.329 176.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.6 mt -81.24 -8.9 59.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.603 -0.726 . . . . 25.0 109.912 -179.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.12 19.64 60.57 Favored Glycine 0 C--O 1.226 -0.404 0 CA-C-N 115.38 -0.827 . . . . 25.0 112.46 177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.5 mt -77.99 142.84 38.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.547 0.689 . . . . 25.0 111.401 -178.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -141.7 175.6 9.57 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 107.054 -1.461 . . . . 25.0 107.054 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.0 t -67.55 7.6 0.45 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 115.681 1.734 . . . . 25.0 115.681 -178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -118.86 11.92 12.75 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.91 0.862 . . . . 25.0 109.171 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -107.98 148.67 29.38 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 115.292 1.589 . . . . 25.0 115.292 -178.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.0 tt -119.41 138.36 53.15 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.991 -1.004 . . . . 25.0 109.917 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.74 143.4 41.32 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.898 -0.592 . . . . 25.0 109.814 -178.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.3 mt -114.34 142.02 46.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.108 0.48 . . . . 25.0 111.351 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 29.1 mm -103.62 118.8 51.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 N-CA-C 105.646 -1.983 . . . . 25.0 105.646 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.4 158.91 26.15 Favored 'General case' 0 C--O 1.213 -0.861 0 N-CA-C 110.544 -0.169 . . . . 25.0 110.544 -174.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -89.46 141.09 15.98 Favored Glycine 0 N--CA 1.449 -0.455 0 CA-C-O 121.616 0.565 . . . . 25.0 113.054 -177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 6.3 mmmt -76.81 135.35 38.92 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.078 -0.712 . . . . 25.0 109.078 176.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.7 mm -80.16 132.68 31.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 N-CA-C 106.168 -1.789 . . . . 25.0 106.168 174.045 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.8 m -128.3 148.19 50.65 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 108.47 -0.937 . . . . 25.0 108.47 178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.1 t30 -140.27 128.69 22.68 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.834 -0.802 . . . . 25.0 108.834 179.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 24.7 m . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 125.834 2.731 . . . . 25.0 113.825 -177.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 23.5 p80 . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 125.281 2.467 . . . . 25.0 113.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.3 mt -84.68 137.59 20.59 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 113.526 -1.67 . . . . 25.0 106.597 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -129.99 79.21 1.89 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.587 -0.733 . . . . 25.0 112.508 -169.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 66.13 33.54 85.61 Favored Glycine 0 C--O 1.228 -0.231 0 C-N-CA 120.882 -0.675 . . . . 25.0 112.958 179.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -117.43 178.64 4.31 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 122.381 -0.482 . . . . 25.0 110.895 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -79.26 155.33 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.394 -1.335 . . . . 25.0 107.394 171.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 5.6 ptt? -140.6 149.3 42.17 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.78 -2.304 . . . . 25.0 104.78 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -104.85 110.52 22.92 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 107.977 -1.12 . . . . 25.0 107.977 -173.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -107.93 131.93 54.02 Favored 'General case' 0 CA--C 1.496 -1.113 0 N-CA-C 108.786 -0.82 . . . . 25.0 108.786 -177.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -93.21 142.97 26.71 Favored 'General case' 0 C--N 1.315 -0.935 0 N-CA-C 108.168 -1.049 . . . . 25.0 108.168 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.0 mm -115.17 136.06 53.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 45.1 t -137.87 140.35 40.36 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.135 0.493 . . . . 25.0 110.545 178.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -97.34 103.48 15.42 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.986 0.422 . . . . 25.0 111.109 -177.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -62.91 -17.94 62.41 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 121.662 0.744 . . . . 25.0 110.98 178.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.2 mt -80.11 -32.95 39.08 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.151 1.167 . . . . 25.0 114.151 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 67.7 p -121.11 -18.26 7.52 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.309 0.855 . . . . 25.0 113.309 -170.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.72 -3.06 87.31 Favored Glycine 0 CA--C 1.52 0.401 0 CA-C-N 116.281 -0.418 . . . . 25.0 112.079 -176.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 67.7 mm-40 -75.19 157.39 34.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.089 0.471 . . . . 25.0 110.822 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 62.2 mt -129.94 127.03 63.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.951 -1.129 . . . . 25.0 107.951 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.415 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 9.8 m-85 -96.06 174.38 6.95 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.901 -1.148 . . . . 25.0 107.901 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.3 151.77 52.44 Favored Glycine 0 CA--C 1.497 -1.036 0 N-CA-C 118.304 2.081 . . . . 25.0 118.304 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -72.13 117.22 5.03 Favored 'Trans proline' 0 CA--C 1.501 -1.163 1 C-N-CA 112.069 -4.821 . . . . 25.0 109.891 159.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -102.55 136.29 35.6 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-N 111.512 -2.585 . . . . 25.0 110.321 -176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -87.03 105.06 16.89 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 123.043 1.402 . . . . 25.0 109.904 -176.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 16.1 m -121.21 162.68 19.86 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.726 0 CA-C-N 114.512 -1.222 . . . . 25.0 108.232 -177.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.6 t -99.0 150.67 21.74 Favored 'General case' 0 C--O 1.213 -0.839 0 O-C-N 121.767 -0.583 . . . . 25.0 110.085 -178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -69.03 -20.51 64.13 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.849 0.357 . . . . 25.0 111.011 177.326 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -89.28 -0.52 57.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.672 0.748 . . . . 25.0 111.238 -179.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.3 ttt -71.11 141.46 50.8 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 179.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.85 155.5 30.97 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.397 -0.964 . . . . 25.0 108.397 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.5 tp -59.93 -38.15 81.53 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.57 -0.53 . . . . 25.0 109.57 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.2 p -62.37 -34.26 76.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.572 -0.285 . . . . 25.0 110.926 179.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -75.95 -37.68 58.36 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 -178.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.6 -50.44 73.51 Favored 'General case' 0 C--O 1.219 -0.515 0 N-CA-C 108.649 -0.871 . . . . 25.0 108.649 175.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.3 mt -63.87 -32.09 55.72 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.527 0 O-C-N 122.024 -0.423 . . . . 25.0 110.828 179.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.407 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.53 -42.28 87.4 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.801 -0.562 . . . . 25.0 110.072 175.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.0 tt -68.71 -42.85 77.13 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 110.236 -0.283 . . . . 25.0 110.236 176.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.5 mt -62.86 -34.1 76.66 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 111.818 0.303 . . . . 25.0 111.818 -178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.407 HE21 ' HA ' ' A' ' 130' ' ' ALA . 34.9 mt-30 -64.72 -36.84 85.6 Favored 'General case' 0 C--N 1.322 -0.611 0 O-C-N 122.196 -0.315 . . . . 25.0 111.261 175.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.48 20.3 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.226 0.824 . . . . 25.0 113.226 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -93.25 -57.88 2.48 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 113.081 0.771 . . . . 25.0 113.081 -174.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.415 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.6 m -80.47 -7.02 59.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.541 0.571 . . . . 25.0 112.541 -175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.42 23.89 72.05 Favored Glycine 0 C--O 1.237 0.29 0 N-CA-C 111.937 -0.465 . . . . 25.0 111.937 -178.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -77.2 104.26 7.6 Favored 'General case' 0 C--O 1.216 -0.702 0 N-CA-C 108.561 -0.903 . . . . 25.0 108.561 -176.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.3 t0 -88.79 106.47 18.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 108.381 -0.97 . . . . 25.0 108.381 176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -62.04 -10.2 9.32 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 115.097 1.518 . . . . 25.0 115.097 -178.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 53.2 p -85.41 -26.03 26.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 121.435 -0.791 . . . . 25.0 112.294 175.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -107.02 -17.26 14.23 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 121.459 0.647 . . . . 25.0 110.581 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 47.5 m80 -131.75 163.2 28.72 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.222 -0.899 . . . . 25.0 111.482 -174.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.71 147.18 49.98 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.722 -0.844 . . . . 25.0 108.722 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 41.4 tp -98.87 132.06 44.5 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -117.95 143.58 46.23 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.04 0.448 . . . . 25.0 110.198 -177.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -144.59 135.76 25.22 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 106.134 -1.802 . . . . 25.0 106.134 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 53.23 32.45 13.43 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.32 0.581 . . . . 25.0 110.99 -177.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 65.2 15.34 9.95 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -121.0 164.74 16.28 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.911 -1.144 . . . . 25.0 107.911 174.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.6 mt -85.49 127.01 40.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.432 0.635 . . . . 25.0 112.293 -174.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 82.4 mt -85.35 109.49 18.44 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.626 -1.62 . . . . 25.0 106.626 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -64.08 115.42 4.93 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.752 -1.203 . . . . 25.0 107.752 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 17.4 m -62.96 -7.28 4.93 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 115.317 1.599 . . . . 25.0 115.317 -175.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 -96.09 -3.06 45.34 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.819 0.303 . . . . 25.0 111.819 178.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 86.3 mtt-85 -73.6 140.89 46.51 Favored 'General case' 0 N--CA 1.469 0.509 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -110.77 26.3 10.84 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.175 0.512 . . . . 25.0 110.11 -179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -78.35 165.86 23.34 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 89.4 p -94.43 163.16 13.53 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 108.922 -0.77 . . . . 25.0 108.922 178.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 27.9 mt -63.52 -29.03 70.35 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.983 -0.553 . . . . 25.0 111.012 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -61.05 -39.1 88.56 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.313 -0.403 . . . . 25.0 111.852 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -68.81 -30.49 69.06 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.221 0.534 . . . . 25.0 110.579 -179.22 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.1 mt -78.24 -14.42 59.45 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.757 -0.656 . . . . 25.0 109.982 -178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.92 19.11 61.91 Favored Glycine 0 N--CA 1.454 -0.105 0 CA-C-N 116.093 -0.503 . . . . 25.0 112.288 177.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 68.4 mt -70.22 153.47 43.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.327 0.584 . . . . 25.0 109.91 179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.2 ptpp? -152.56 172.19 16.96 Favored 'General case' 0 C--O 1.211 -0.933 0 N-CA-C 107.729 -1.211 . . . . 25.0 107.729 -173.03 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.6 t -74.27 -6.68 49.36 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 122.068 0.937 . . . . 25.0 111.812 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.5 t0 -106.56 30.81 5.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.427 -1.261 . . . . 25.0 107.873 -177.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -129.87 169.19 15.5 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 114.804 1.409 . . . . 25.0 114.804 -176.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.4 tt -143.46 139.39 29.86 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.644 -0.707 . . . . 25.0 111.352 -176.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.0 141.4 37.45 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.535 -0.542 . . . . 25.0 109.535 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.9 mt -110.38 138.26 47.0 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.116 0.484 . . . . 25.0 111.765 179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.2 mm -102.28 120.37 51.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 N-CA-C 108.498 -0.927 . . . . 25.0 108.498 176.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 5.2 ttt-85 -124.85 174.96 7.59 Favored 'General case' 0 C--O 1.214 -0.782 0 N-CA-C 109.094 -0.706 . . . . 25.0 109.094 176.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.98 154.3 16.59 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.634 -0.587 . . . . 25.0 111.634 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.82 157.84 33.87 Favored 'General case' 0 C--N 1.318 -0.787 0 N-CA-C 107.345 -1.354 . . . . 25.0 107.345 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 90.8 mt -64.78 117.11 4.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 105.886 -1.894 . . . . 25.0 105.886 174.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 4.6 p -137.48 23.97 2.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.99 -0.55 . . . . 25.0 110.895 -172.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 55.5 33.99 22.14 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 122.081 0.944 . . . . 25.0 111.451 -179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.209 -1.065 0 CA-C-O 124.039 1.876 . . . . 25.0 114.258 -177.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 84.5 t60 . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 123.677 1.703 . . . . 25.0 115.378 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.3 mm -123.82 130.19 74.06 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 N-CA-C 104.431 -2.433 . . . . 25.0 104.431 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -87.95 156.7 19.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.554 -0.536 . . . . 25.0 109.554 179.101 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -111.52 -9.34 21.58 Favored Glycine 0 C--O 1.221 -0.708 0 C-N-CA 121.584 -0.341 . . . . 25.0 112.82 179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -80.8 4.23 19.79 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.104 0.779 . . . . 25.0 113.104 -177.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -126.63 144.08 51.02 Favored 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 109.23 -0.656 . . . . 25.0 109.23 179.263 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.7 ptt? -139.33 154.31 47.86 Favored 'General case' 0 C--N 1.318 -0.778 0 N-CA-C 106.251 -1.759 . . . . 25.0 106.251 177.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -104.75 122.76 46.37 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.822 -1.177 . . . . 25.0 107.822 -176.43 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 38.7 mt -113.07 125.77 54.75 Favored 'General case' 0 CA--C 1.494 -1.189 0 N-CA-C 108.881 -0.785 . . . . 25.0 108.881 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.0 m -89.46 133.84 34.37 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 108.506 -0.924 . . . . 25.0 108.506 -178.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.4 mm -109.89 133.44 55.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 N-CA-C 107.196 -1.409 . . . . 25.0 107.196 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.1 m -133.25 137.03 45.91 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.374 0.607 . . . . 25.0 110.849 178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.425 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.4 m120 -91.04 102.3 15.06 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.309 0.576 . . . . 25.0 110.711 -177.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -61.62 -21.78 64.67 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.591 -0.731 . . . . 25.0 111.353 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 68.7 mt -79.83 -34.27 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 114.374 1.25 . . . . 25.0 114.374 -177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.2 p -117.82 -17.84 9.71 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.678 0.621 . . . . 25.0 112.678 -170.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.07 -2.16 87.67 Favored Glycine 0 C--O 1.227 -0.296 0 N-CA-C 111.853 -0.499 . . . . 25.0 111.853 -176.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -72.52 156.38 39.08 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.256 0.551 . . . . 25.0 110.896 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -122.1 125.59 73.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 107.368 -1.345 . . . . 25.0 107.368 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.401 ' CE2' ' HA ' ' A' ' 136' ' ' CYS . 0.8 OUTLIER -97.36 176.84 5.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.411 -1.329 . . . . 25.0 107.411 177.657 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.65 151.65 44.94 Favored Glycine 0 CA--C 1.496 -1.15 0 N-CA-C 116.4 1.32 . . . . 25.0 116.4 -172.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_exo -69.58 116.57 4.6 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 111.832 -4.979 . . . . 25.0 107.639 159.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.4 pt -97.0 144.55 10.42 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.291 0 CA-C-N 114.528 -1.215 . . . . 25.0 110.272 -176.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -87.08 105.19 17.0 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.259 -1.337 . . . . 25.0 109.534 -174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.4 m -124.77 168.28 17.67 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.328 -0.851 . . . . 25.0 110.109 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.1 m -108.4 149.92 28.07 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.018 0.437 . . . . 25.0 111.792 -178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -62.67 -28.66 70.08 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.0 p-10 -95.77 5.73 50.64 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.076 0.465 . . . . 25.0 111.349 -176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -68.75 140.8 55.35 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.798 -1.556 . . . . 25.0 106.798 175.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.73 153.59 34.9 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 178.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.8 tp -60.6 -37.07 80.2 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.161 -0.681 . . . . 25.0 109.161 175.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 33.4 p -62.35 -35.77 80.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.402 -0.363 . . . . 25.0 110.471 179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -76.02 -36.46 59.11 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.825 -0.435 . . . . 25.0 109.825 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.5 tp -60.01 -49.8 76.25 Favored 'General case' 0 C--O 1.218 -0.569 0 N-CA-C 108.778 -0.823 . . . . 25.0 108.778 175.277 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.8 mt -65.01 -32.41 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 120.366 -0.533 . . . . 25.0 110.232 179.476 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.508 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.9 -42.2 89.03 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 121.656 -0.653 . . . . 25.0 110.038 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -68.4 -43.02 78.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.088 -0.338 . . . . 25.0 110.088 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.9 mt -62.47 -35.41 79.24 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 122.197 -0.314 . . . . 25.0 111.727 -178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.508 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -65.08 -36.82 85.54 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 122.254 -0.279 . . . . 25.0 111.241 175.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.96 -45.22 20.82 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -94.32 -58.0 2.34 Favored 'General case' 0 N--CA 1.471 0.577 0 N-CA-C 113.189 0.811 . . . . 25.0 113.189 -174.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . 0.401 ' HA ' ' CE2' ' A' ' 114' ' ' TYR . 58.9 m -79.75 -6.73 57.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.995 -0.548 . . . . 25.0 112.424 -176.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 25.36 71.65 Favored Glycine 0 N--CA 1.452 -0.28 0 N-CA-C 111.902 -0.479 . . . . 25.0 111.902 -178.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -76.23 104.23 6.66 Favored 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 107.437 -1.32 . . . . 25.0 107.437 -177.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -82.47 104.31 12.66 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 177.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.3 pttp -65.1 -5.83 7.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 116.109 1.892 . . . . 25.0 116.109 -174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.9 t -109.35 -2.9 17.51 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.8 -0.562 . . . . 25.0 112.194 175.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -114.47 -11.34 12.47 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 171.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -139.75 161.25 38.0 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.156 -0.474 . . . . 25.0 111.867 -174.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -123.95 146.89 48.17 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 123.801 0.84 . . . . 25.0 108.743 177.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 45.6 tp -104.78 131.53 52.14 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.047 -1.464 . . . . 25.0 107.047 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -117.5 140.0 50.19 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.18 0.514 . . . . 25.0 112.152 -175.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -147.08 135.79 22.08 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 106.848 -1.538 . . . . 25.0 106.848 175.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 53.74 31.25 12.54 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.174 0.512 . . . . 25.0 111.391 -178.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 59.3 mtp 63.8 17.21 10.35 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.598 1.333 . . . . 25.0 114.598 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -113.81 165.45 12.55 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 106.838 -1.541 . . . . 25.0 106.838 173.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 57.1 mt -91.2 127.13 43.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.749 -0.834 . . . . 25.0 108.749 178.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.0 mt -81.67 92.32 6.57 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 107.095 -1.446 . . . . 25.0 107.095 173.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -60.92 124.79 21.5 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.074 -0.966 . . . . 25.0 109.508 -178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 47.9 t -59.77 -14.65 15.56 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 114.044 1.127 . . . . 25.0 114.044 -178.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -87.27 -4.63 59.08 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 111.837 0.31 . . . . 25.0 111.837 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.96 116.33 16.55 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 106.604 -1.628 . . . . 25.0 106.604 175.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.8 p -93.67 29.51 2.01 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.327 0.584 . . . . 25.0 110.242 -178.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.63 166.86 19.81 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.494 -0.776 . . . . 25.0 109.466 -177.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 51.1 p -93.49 161.77 14.24 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 174.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.3 mt -63.56 -29.06 70.37 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.096 0.475 . . . . 25.0 111.315 -176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -61.86 -36.96 82.76 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.76 0.652 . . . . 25.0 112.76 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -71.32 -28.74 64.3 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.287 0.565 . . . . 25.0 110.767 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -78.0 -11.3 59.89 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.585 -0.734 . . . . 25.0 109.031 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.99 21.84 60.44 Favored Glycine 0 CA--C 1.508 -0.354 0 CA-C-N 115.474 -0.785 . . . . 25.0 111.974 177.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.7 mt -75.54 145.34 41.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.892 0.377 . . . . 25.0 111.515 -178.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.18 174.87 10.21 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 107.631 -1.248 . . . . 25.0 107.631 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.4 t -69.45 -1.99 9.96 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.917 1.451 . . . . 25.0 114.917 -179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -101.39 3.82 40.85 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.567 0.698 . . . . 25.0 109.714 -176.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -92.04 156.6 17.29 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 115.646 1.721 . . . . 25.0 115.646 -175.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.0 tt -131.24 134.27 46.27 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 113.637 -1.62 . . . . 25.0 108.512 176.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.63 144.66 37.66 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 108.795 -0.817 . . . . 25.0 108.795 -176.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -113.0 144.42 42.62 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.198 0.444 . . . . 25.0 112.198 -178.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 11.7 mm -110.92 115.95 51.21 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.028 -0.73 . . . . 25.0 109.028 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 48.5 ttt85 -117.85 164.19 15.41 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 107.678 -1.23 . . . . 25.0 107.678 178.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -107.82 147.17 16.39 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-O 121.859 0.7 . . . . 25.0 112.551 -176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -85.76 153.33 22.37 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.1 mt -82.13 115.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 105.801 -1.926 . . . . 25.0 105.801 174.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 34.5 t -60.44 -32.22 71.16 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 112.679 0.622 . . . . 25.0 112.679 -176.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 59.0 t30 45.12 64.74 1.29 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 115.409 1.633 . . . . 25.0 115.409 175.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 123.727 1.727 . . . . 25.0 113.468 177.26 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 41.3 m80 . . . . . 0 N--CA 1.484 1.252 0 CA-C-O 122.034 0.921 . . . . 25.0 112.795 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 tt -142.98 131.97 20.71 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 104.026 -2.583 . . . . 25.0 104.026 175.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -136.69 -166.6 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.485 -0.325 . . . . 25.0 111.032 -168.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.43 -176.76 45.34 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.612 0.605 . . . . 25.0 114.612 -175.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 36.3 mtm180 -76.52 81.08 3.21 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.242 0.544 . . . . 25.0 111.325 179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -131.47 158.05 41.87 Favored 'General case' 0 CA--C 1.506 -0.743 0 N-CA-C 108.548 -0.908 . . . . 25.0 108.548 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -134.78 148.47 50.23 Favored 'General case' 0 C--N 1.315 -0.899 0 N-CA-C 103.158 -2.905 . . . . 25.0 103.158 171.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -105.19 113.92 27.79 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.365 -0.976 . . . . 25.0 108.365 -174.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.7 mp -106.99 133.76 51.17 Favored 'General case' 0 CA--C 1.494 -1.199 0 N-CA-C 106.546 -1.65 . . . . 25.0 106.546 179.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.2 m -97.55 136.14 38.38 Favored 'General case' 0 C--N 1.313 -1.013 0 N-CA-C 107.926 -1.138 . . . . 25.0 107.926 -177.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 28.3 mm -109.93 134.55 51.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 N-CA-C 108.53 -0.915 . . . . 25.0 108.53 -175.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 43.0 t -134.98 130.7 36.17 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.71 0.767 . . . . 25.0 111.872 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -85.32 108.24 17.71 Favored 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 113.691 0.997 . . . . 25.0 113.691 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.92 -18.3 63.37 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 122.167 -0.333 . . . . 25.0 111.652 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -82.02 -40.42 22.1 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.3 0.482 . . . . 25.0 112.3 -179.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 43.9 p -108.05 -16.63 14.24 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 113.285 0.846 . . . . 25.0 113.285 -172.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.22 -3.19 87.6 Favored Glycine 0 CA--C 1.519 0.336 0 CA-C-N 116.296 -0.411 . . . . 25.0 112.226 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -70.76 148.99 47.35 Favored 'General case' 0 C--O 1.241 0.618 0 CA-C-O 122.062 0.934 . . . . 25.0 113.012 -177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 47.1 mm -110.21 122.08 64.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 106.631 -1.618 . . . . 25.0 106.631 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 39.9 m-85 -100.32 173.32 6.65 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 106.012 -1.848 . . . . 25.0 106.012 179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.06 152.34 49.98 Favored Glycine 0 CA--C 1.493 -1.322 0 N-CA-C 118.114 2.006 . . . . 25.0 118.114 -168.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -71.68 119.79 6.46 Favored 'Trans proline' 0 CA--C 1.501 -1.166 1 C-N-CA 111.061 -5.493 . . . . 25.0 107.64 160.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 24.3 pt -102.49 144.71 13.15 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 CA-C-N 112.107 -2.315 . . . . 25.0 110.721 -175.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -87.02 105.05 16.88 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.204 -1.362 . . . . 25.0 109.092 -174.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.19 163.01 26.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.769 -0.651 . . . . 25.0 109.26 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 1.1 t -106.36 150.92 25.52 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-O 121.061 0.458 . . . . 25.0 111.537 -176.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -57.34 -30.5 64.86 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.76 -0.654 . . . . 25.0 112.262 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -96.81 3.87 52.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.149 0.5 . . . . 25.0 111.598 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -69.3 144.0 53.67 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.127 -1.434 . . . . 25.0 107.127 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.12 155.36 32.42 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 177.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -59.71 -40.13 86.92 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.445 -0.946 . . . . 25.0 108.445 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.3 p -65.11 -32.98 74.94 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.996 -0.547 . . . . 25.0 110.648 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -76.0 -35.14 59.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.019 0.438 . . . . 25.0 109.832 -177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.8 tp -58.6 -47.18 85.2 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 174.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.4 mt -68.01 -32.06 54.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 122.205 -0.31 . . . . 25.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.416 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.04 -41.85 84.12 Favored 'General case' 0 C--N 1.32 -0.704 0 O-C-N 121.919 -0.488 . . . . 25.0 109.717 175.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -69.81 -42.42 73.72 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.537 -0.172 . . . . 25.0 110.537 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.3 mt -62.66 -34.62 77.45 Favored 'General case' 0 C--O 1.218 -0.601 0 N-CA-C 111.925 0.343 . . . . 25.0 111.925 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.416 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.9 mt-30 -65.84 -35.79 81.65 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 122.193 -0.317 . . . . 25.0 111.225 175.241 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -44.09 23.49 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 113.07 0.767 . . . . 25.0 113.07 -178.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.34 -57.83 2.3 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 113.268 0.84 . . . . 25.0 113.268 -174.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -80.11 -8.44 59.4 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 112.671 0.619 . . . . 25.0 112.671 -175.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.66 25.65 73.94 Favored Glycine 0 CA--C 1.518 0.266 0 C-N-CA 121.324 -0.465 . . . . 25.0 111.981 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -75.28 104.17 5.74 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.082 -0.71 . . . . 25.0 109.082 -176.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -82.49 100.92 10.36 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.038 -0.727 . . . . 25.0 109.038 177.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -61.3 -8.63 4.01 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 115.12 1.526 . . . . 25.0 115.12 -178.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 55.5 p -91.88 -16.64 26.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 121.362 -0.836 . . . . 25.0 112.853 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -113.8 -20.09 11.26 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-O 121.853 0.835 . . . . 25.0 109.211 -178.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 48.4 m80 -131.98 159.51 38.54 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 114.168 -1.378 . . . . 25.0 110.683 -172.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -126.46 151.18 48.1 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 178.22 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.1 tp -97.55 134.33 40.92 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 107.029 -1.471 . . . . 25.0 107.029 179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.9 m-85 -120.5 140.14 51.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.053 0.454 . . . . 25.0 111.754 -177.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 25.1 t80 -140.27 133.32 29.43 Favored 'General case' 0 CA--C 1.513 -0.443 0 N-CA-C 106.358 -1.719 . . . . 25.0 106.358 175.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 54.36 30.03 11.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.318 0.58 . . . . 25.0 110.653 -176.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.9 mtp 63.54 15.2 8.66 Favored 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 115.018 1.488 . . . . 25.0 115.018 -178.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 32.5 t0 -107.13 163.11 13.27 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 172.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.1 mt -86.99 123.86 40.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 121.082 0.468 . . . . 25.0 110.602 -176.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 76.6 mt -88.91 86.76 7.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 106.314 -1.736 . . . . 25.0 106.314 170.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 11.0 t0 -57.02 129.8 43.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.245 -0.889 . . . . 25.0 109.414 -177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.8 p -66.24 -7.45 18.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.312 1.597 . . . . 25.0 115.312 -173.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -94.78 -0.51 54.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.655 0.264 . . . . 25.0 111.446 178.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.2 120.49 20.76 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 177.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.9 p -94.31 28.93 2.35 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.202 0.525 . . . . 25.0 110.921 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -78.72 168.16 20.15 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.721 -0.672 . . . . 25.0 109.696 -179.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.1 m -96.61 158.08 15.6 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 173.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 45.9 mt -61.73 -30.25 70.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.272 0.558 . . . . 25.0 111.173 -178.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -56.81 -38.92 73.24 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 113.219 0.822 . . . . 25.0 113.219 174.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -76.88 -21.35 55.07 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.302 0.572 . . . . 25.0 110.666 -176.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.1 mt -83.67 -11.81 56.74 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.553 -0.749 . . . . 25.0 109.645 178.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.54 26.57 56.57 Favored Glycine 0 C--O 1.235 0.186 0 CA-C-N 115.77 -0.65 . . . . 25.0 112.377 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 70.3 mt -79.36 148.01 32.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.225 0.536 . . . . 25.0 111.312 -179.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.1 pttm -146.98 171.68 14.88 Favored 'General case' 0 C--O 1.217 -0.625 0 N-CA-C 108.19 -1.041 . . . . 25.0 108.19 -174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.3 t -70.14 -4.05 19.61 Favored 'General case' 0 N--CA 1.473 0.717 0 N-CA-C 113.696 0.999 . . . . 25.0 113.696 -177.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.83 1.85 48.7 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.708 -0.678 . . . . 25.0 110.396 -176.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -91.31 147.36 23.1 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 117.483 2.401 . . . . 25.0 117.483 -172.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 48.4 tp -114.54 128.69 56.46 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 113.191 -1.822 . . . . 25.0 107.462 174.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.97 138.57 46.17 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.737 -1.208 . . . . 25.0 107.737 -178.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.0 mt -109.5 142.79 40.04 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.902 0.382 . . . . 25.0 111.654 -176.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 27.6 mm -104.91 121.09 56.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 106.809 -1.552 . . . . 25.0 106.809 176.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -123.68 166.28 15.79 Favored 'General case' 0 C--O 1.215 -0.738 0 CA-C-N 118.004 0.365 . . . . 25.0 111.562 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.06 140.2 14.87 Favored Glycine 0 N--CA 1.447 -0.601 0 N-CA-C 109.804 -1.318 . . . . 25.0 109.804 -178.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.56 -27.03 61.96 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.273 0.558 . . . . 25.0 111.609 179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.6 mp -70.85 89.89 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.391 -0.822 . . . . 25.0 109.284 -178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 16.5 m -108.73 7.73 26.51 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 113.152 0.797 . . . . 25.0 113.152 -173.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -137.49 142.03 41.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.323 0.583 . . . . 25.0 110.912 -178.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--O 1.216 -0.708 0 CA-C-O 124.951 2.31 . . . . 25.0 110.768 177.172 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 78.0 m80 . . . . . 0 N--CA 1.495 1.794 0 CA-C-O 123.273 1.511 . . . . 25.0 114.662 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.74 159.5 43.04 Favored 'Isoleucine or valine' 0 C--O 1.231 0.09 0 N-CA-C 106.288 -1.745 . . . . 25.0 106.288 176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 -90.92 132.35 35.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.64 0.257 . . . . 25.0 110.8 -179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.74 164.05 20.42 Favored Glycine 0 C--O 1.218 -0.885 0 C-N-CA 121.106 -0.569 . . . . 25.0 111.74 176.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -88.31 5.27 42.7 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 121.222 0.534 . . . . 25.0 111.519 179.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.28 143.34 45.65 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 106.808 -1.553 . . . . 25.0 106.808 -175.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 20.9 ptt? -145.74 154.96 42.63 Favored 'General case' 0 C--N 1.319 -0.734 0 O-C-N 123.567 0.542 . . . . 25.0 110.426 -175.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -99.61 123.42 43.86 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.77 -0.826 . . . . 25.0 108.77 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.4 mt -116.47 127.53 54.65 Favored 'General case' 0 CA--C 1.499 -1.003 0 N-CA-C 108.773 -0.825 . . . . 25.0 108.773 176.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.0 m -93.02 136.93 32.84 Favored 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.504 -0.924 . . . . 25.0 108.504 -177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 22.8 mm -112.67 128.98 69.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 N-CA-C 108.505 -0.924 . . . . 25.0 108.505 -175.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 47.8 t -130.6 131.43 44.95 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.089 0.471 . . . . 25.0 111.759 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -86.13 118.68 25.74 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.435 1.272 . . . . 25.0 114.435 -179.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.89 -22.73 61.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.797 0.332 . . . . 25.0 110.9 177.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.0 mt -86.49 -42.67 13.37 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 47.7 p -106.87 -16.66 14.41 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.799 0.666 . . . . 25.0 112.799 -172.237 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 81.5 -1.4 85.8 Favored Glycine 0 C--O 1.226 -0.374 0 C-N-CA 121.28 -0.486 . . . . 25.0 112.244 -176.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -70.01 146.66 50.9 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.512 0.673 . . . . 25.0 111.759 -178.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.4 mm -112.36 118.16 57.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 N-CA-C 107.635 -1.246 . . . . 25.0 107.635 179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -95.3 170.76 9.15 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 177.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.83 155.1 53.19 Favored Glycine 0 CA--C 1.494 -1.264 0 N-CA-C 117.335 1.694 . . . . 25.0 117.335 -169.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_exo -69.02 116.55 4.54 Favored 'Trans proline' 0 N--CA 1.455 -0.777 1 C-N-CA 111.954 -4.897 . . . . 25.0 107.268 160.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.4 pt -98.0 139.16 20.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.302 0 CA-C-N 114.449 -1.25 . . . . 25.0 109.883 -177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -87.08 105.48 17.19 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 114.529 -1.214 . . . . 25.0 109.321 -173.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.7 m -124.21 165.67 20.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 114.94 -1.027 . . . . 25.0 110.061 -177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.67 149.8 26.88 Favored 'General case' 0 C--O 1.215 -0.759 0 N-CA-C 112.574 0.583 . . . . 25.0 112.574 -176.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -63.01 -26.47 68.87 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.397 0.618 . . . . 25.0 111.898 179.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -93.41 1.67 56.78 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 123.411 0.684 . . . . 25.0 111.712 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.4 ttt -70.04 143.94 52.35 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.92 157.29 29.83 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.138 -0.625 . . . . 25.0 109.318 178.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.86 -41.17 86.39 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.466 -0.939 . . . . 25.0 108.466 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.0 p -65.74 -31.97 73.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.127 -0.488 . . . . 25.0 111.0 -178.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -75.99 -36.21 59.3 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.747 -0.464 . . . . 25.0 109.747 -177.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -59.69 -44.65 93.55 Favored 'General case' 0 C--O 1.219 -0.504 0 N-CA-C 108.493 -0.929 . . . . 25.0 108.493 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 97.2 mt -69.94 -31.38 47.78 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.728 0 O-C-N 122.031 -0.418 . . . . 25.0 110.275 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.516 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.56 -40.65 83.68 Favored 'General case' 0 C--N 1.318 -0.78 0 O-C-N 121.767 -0.583 . . . . 25.0 109.871 174.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.34 -41.94 75.97 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 110.33 -0.248 . . . . 25.0 110.33 176.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.03 -35.2 79.93 Favored 'General case' 0 C--O 1.218 -0.576 0 N-CA-C 112.015 0.376 . . . . 25.0 112.015 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' ' 130' ' ' ALA . 32.8 mt-30 -64.1 -36.41 83.93 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.212 -0.305 . . . . 25.0 110.848 175.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -45.66 19.89 Favored 'General case' 0 CA--C 1.539 0.537 0 N-CA-C 113.094 0.776 . . . . 25.0 113.094 -178.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -91.84 -57.78 2.63 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 113.427 0.899 . . . . 25.0 113.427 -173.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.7 m -81.35 -7.04 59.51 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.064 -0.516 . . . . 25.0 112.244 -176.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.18 25.47 72.28 Favored Glycine 0 C--O 1.235 0.192 0 N-CA-C 111.447 -0.661 . . . . 25.0 111.447 -177.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -74.79 104.65 5.51 Favored 'General case' 0 C--O 1.211 -0.922 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -176.151 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -82.41 108.66 16.0 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 107.482 -1.303 . . . . 25.0 107.482 176.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -59.57 -10.26 3.32 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 117.646 2.462 . . . . 25.0 117.646 -174.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 9.3 t -111.52 -11.05 14.11 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.935 0.789 . . . . 25.0 112.431 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -103.01 -13.56 16.82 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 109.037 -0.727 . . . . 25.0 109.037 173.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -133.33 162.74 31.0 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.741 -0.663 . . . . 25.0 111.324 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -125.54 143.71 50.88 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.172 -1.047 . . . . 25.0 108.172 -179.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 54.3 tp -105.23 129.47 53.59 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 19.8 m-85 -116.61 139.55 50.39 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.098 0.475 . . . . 25.0 111.163 -175.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -147.05 138.76 24.27 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 175.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.5 t30 49.49 40.68 19.66 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-O 121.658 0.742 . . . . 25.0 111.939 -179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 64.4 mtp 61.33 18.9 9.69 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 115.186 1.55 . . . . 25.0 115.186 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -127.96 165.62 19.91 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.469 -0.937 . . . . 25.0 108.469 177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 55.2 mt -91.61 127.27 44.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.342 0.591 . . . . 25.0 110.234 -177.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.1 mt -82.84 109.47 17.01 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 107.315 -1.365 . . . . 25.0 107.315 173.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -65.81 120.93 13.91 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.268 -1.012 . . . . 25.0 108.268 179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 28.9 t -64.25 -8.55 13.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 115.342 1.608 . . . . 25.0 115.342 -173.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -99.36 -0.59 40.75 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.232 0.456 . . . . 25.0 112.232 -176.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.5 mtt180 -70.37 135.63 48.97 Favored 'General case' 0 C--O 1.217 -0.621 0 N-CA-C 108.846 -0.798 . . . . 25.0 108.846 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.7 p -101.5 27.5 6.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.134 0.492 . . . . 25.0 110.408 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -77.78 167.52 21.41 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.085 -0.709 . . . . 25.0 109.085 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 67.3 m -97.38 159.98 14.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.429 -1.323 . . . . 25.0 107.429 175.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -61.16 -29.5 69.83 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.82 0.343 . . . . 25.0 111.834 -177.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 18.7 ttmm -57.57 -38.39 74.73 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.328 0.651 . . . . 25.0 112.659 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -73.4 -27.11 61.28 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.21 0.529 . . . . 25.0 110.671 -177.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.6 mt -79.26 -13.03 59.93 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.71 -0.677 . . . . 25.0 110.429 -178.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.83 13.34 69.79 Favored Glycine 0 C--O 1.23 -0.139 0 CA-C-N 116.068 -0.515 . . . . 25.0 112.836 177.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.1 mt -67.44 146.01 54.43 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.305 0.574 . . . . 25.0 110.9 -178.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -146.41 166.12 27.32 Favored 'General case' 0 C--O 1.212 -0.902 0 CA-C-N 115.385 -0.825 . . . . 25.0 109.315 -174.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -70.96 0.17 7.98 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-O 122.261 1.029 . . . . 25.0 113.21 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -110.94 15.05 21.97 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 114.376 -1.284 . . . . 25.0 107.619 -174.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.52 167.94 11.48 Favored 'General case' 0 N--CA 1.478 0.957 0 N-CA-C 118.143 2.646 . . . . 25.0 118.143 -175.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.7 tt -138.61 142.81 39.12 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-N 115.074 -0.966 . . . . 25.0 111.293 -175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -113.17 147.62 37.06 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.318 0.647 . . . . 25.0 110.371 -178.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 95.2 mt -112.99 140.56 47.7 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.916 0.389 . . . . 25.0 111.831 178.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.0 mm -107.93 119.72 58.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 108.981 -0.748 . . . . 25.0 108.981 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -118.4 170.95 8.49 Favored 'General case' 0 C--O 1.211 -0.927 0 N-CA-C 110.079 -0.341 . . . . 25.0 110.079 179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.19 146.63 16.43 Favored Glycine 0 CA--C 1.505 -0.534 0 N-CA-C 108.407 -1.877 . . . . 25.0 108.407 176.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 8.2 mmtt -71.15 129.05 37.93 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 107.009 -1.478 . . . . 25.0 107.009 178.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 48.4 mm -61.13 -32.93 54.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 109.494 -0.558 . . . . 25.0 109.494 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.0 m 55.87 -100.82 0.12 Allowed 'General case' 0 N--CA 1.468 0.467 0 N-CA-C 114.242 1.201 . . . . 25.0 114.242 174.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -157.36 168.83 26.23 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 -178.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--O 1.215 -0.733 0 CA-C-O 123.534 1.635 . . . . 25.0 111.205 177.918 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 124.379 2.037 . . . . 25.0 112.455 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.3 mm 56.25 49.68 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 112.471 -2.149 . . . . 25.0 106.712 -177.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -79.84 17.37 0.95 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.712 -1.131 . . . . 25.0 113.421 -173.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 73.94 -132.54 15.57 Favored Glycine 0 N--CA 1.449 -0.495 0 N-CA-C 110.403 -1.079 . . . . 25.0 110.403 -177.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 33.8 mtt180 63.39 -59.88 0.16 Allowed 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 125.985 1.714 . . . . 25.0 114.792 -177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.04 137.89 25.06 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 105.94 -1.874 . . . . 25.0 105.94 175.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 14.1 ptt? -139.35 153.11 47.63 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 108.842 -0.799 . . . . 25.0 108.842 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.9 115.78 31.27 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 107.241 -1.392 . . . . 25.0 107.241 -176.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.5 mt -108.02 124.1 49.66 Favored 'General case' 0 CA--C 1.496 -1.112 0 N-CA-C 109.275 -0.639 . . . . 25.0 109.275 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.3 m -88.61 132.39 34.57 Favored 'General case' 0 C--N 1.315 -0.933 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 -177.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -109.67 137.13 43.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 N-CA-C 107.993 -1.114 . . . . 25.0 107.993 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 65.8 m -140.43 135.03 31.62 Favored 'General case' 0 C--N 1.32 -0.68 0 O-C-N 121.771 -0.581 . . . . 25.0 111.298 178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -88.14 117.23 26.89 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 112.919 0.711 . . . . 25.0 112.919 -178.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.91 -22.16 61.52 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.311 0.577 . . . . 25.0 109.563 176.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 82.5 mt -79.04 -37.25 39.49 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.861 1.06 . . . . 25.0 113.861 -176.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -119.4 -15.85 9.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 113.432 0.901 . . . . 25.0 113.432 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.54 1.25 90.17 Favored Glycine 0 C--O 1.229 -0.213 0 CA-C-N 116.277 -0.42 . . . . 25.0 112.336 -177.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -71.2 131.17 43.13 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 122.305 -0.527 . . . . 25.0 110.748 -179.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 42.7 mm -99.36 122.16 50.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 105.936 -1.876 . . . . 25.0 105.936 176.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -99.99 175.61 5.7 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.303 -1.369 . . . . 25.0 107.303 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -72.45 153.02 48.78 Favored Glycine 0 CA--C 1.494 -1.223 0 N-CA-C 116.823 1.489 . . . . 25.0 116.823 -170.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.2 Cg_exo -69.97 116.42 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.782 1 C-N-CA 111.811 -4.993 . . . . 25.0 107.844 160.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.6 pt -96.3 139.24 19.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.314 0 CA-C-N 114.43 -1.259 . . . . 25.0 109.887 -177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -86.95 105.39 17.08 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.265 -1.334 . . . . 25.0 109.5 -173.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.72 166.24 23.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 114.912 -1.04 . . . . 25.0 110.342 -176.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.2 m -103.77 151.73 22.7 Favored 'General case' 0 C--O 1.215 -0.724 0 CA-C-O 121.31 0.576 . . . . 25.0 110.896 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -67.81 -24.83 65.34 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 112.749 0.648 . . . . 25.0 112.749 -177.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -89.5 -3.27 58.43 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 122.692 0.397 . . . . 25.0 111.387 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.0 ttt -63.23 141.87 58.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.4 152.42 40.83 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.466 -0.938 . . . . 25.0 108.466 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.11 -40.55 81.48 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.647 -0.872 . . . . 25.0 108.647 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 29.7 p -65.51 -33.01 74.92 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.59 -0.444 . . . . 25.0 111.083 -178.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -75.99 -36.02 59.37 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.993 0.425 . . . . 25.0 110.031 -177.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.83 -46.8 86.82 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 107.945 -1.131 . . . . 25.0 107.945 173.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -63.37 -36.97 78.23 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 C-N-CA 120.842 -0.343 . . . . 25.0 110.791 178.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.05 -39.14 74.3 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 120.524 -0.47 . . . . 25.0 110.598 178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.6 tp -69.38 -41.89 75.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.745 0.307 . . . . 25.0 110.314 175.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.5 mt -64.13 -32.1 73.55 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 111.82 0.304 . . . . 25.0 111.82 179.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -64.8 -36.86 85.68 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 122.095 -0.378 . . . . 25.0 110.498 176.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -45.62 19.87 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.838 0.681 . . . . 25.0 112.838 -177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -92.78 -57.85 2.53 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 113.369 0.878 . . . . 25.0 113.369 -174.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 60.4 m -80.23 -4.82 54.7 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -175.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.7 23.09 70.48 Favored Glycine 0 C--O 1.236 0.273 0 N-CA-C 111.621 -0.592 . . . . 25.0 111.621 -178.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.8 t80 -79.58 104.01 9.89 Favored 'General case' 0 C--O 1.212 -0.899 0 N-CA-C 107.622 -1.251 . . . . 25.0 107.622 -177.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 61.4 t0 -89.8 112.72 24.12 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 107.086 -1.45 . . . . 25.0 107.086 177.219 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -62.3 -10.73 11.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 114.757 1.391 . . . . 25.0 114.757 -177.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 61.2 p -86.09 -28.27 24.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 121.707 -0.621 . . . . 25.0 112.225 174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.1 mttp -98.88 -25.3 14.66 Favored 'General case' 0 CA--C 1.512 -0.519 0 CA-C-O 121.351 0.596 . . . . 25.0 110.734 -177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 42.2 m170 -129.95 161.28 31.24 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.028 -0.987 . . . . 25.0 110.988 -169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -125.99 149.12 49.04 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.685 0.794 . . . . 25.0 108.879 177.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 49.9 tp -98.39 133.97 42.04 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 106.883 -1.525 . . . . 25.0 106.883 -179.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -120.34 140.64 50.97 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.029 0.442 . . . . 25.0 110.877 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -147.11 136.92 23.1 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.764 -1.199 . . . . 25.0 107.764 176.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 10.1 t30 52.18 35.58 17.05 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.538 0.685 . . . . 25.0 111.411 -178.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 60.32 21.46 10.97 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.562 1.319 . . . . 25.0 114.562 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -120.58 165.5 14.93 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 107.144 -1.428 . . . . 25.0 107.144 174.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 53.5 mt -91.92 125.15 44.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.208 0.527 . . . . 25.0 109.991 -178.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.6 mt -86.43 91.71 8.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 105.492 -2.04 . . . . 25.0 105.492 170.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.86 132.54 53.66 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 25.0 110.02 -177.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 86.3 p -69.04 -6.93 31.14 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 115.281 1.586 . . . . 25.0 115.281 -174.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -97.17 -3.9 40.12 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 117.618 0.19 . . . . 25.0 111.324 178.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -67.45 126.58 29.74 Favored 'General case' 0 C--O 1.218 -0.594 0 N-CA-C 107.727 -1.212 . . . . 25.0 107.727 176.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.7 p -103.71 27.1 7.79 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.383 0.611 . . . . 25.0 109.494 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -79.57 167.71 20.37 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.267 -0.879 . . . . 25.0 108.86 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 74.0 m -93.61 159.39 15.24 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.38 -1.341 . . . . 25.0 107.38 175.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.5 mt -60.57 -30.44 69.8 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.968 0.413 . . . . 25.0 111.603 -177.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -57.62 -39.34 76.67 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.226 0.825 . . . . 25.0 113.226 175.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -70.6 -29.68 66.15 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.338 0.589 . . . . 25.0 110.354 -178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 33.4 mt -78.25 -8.6 58.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.534 -0.757 . . . . 25.0 109.827 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.21 19.69 66.36 Favored Glycine 0 CA--C 1.512 -0.134 0 CA-C-N 115.434 -0.803 . . . . 25.0 112.934 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.4 mt -74.77 148.81 40.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.355 0.597 . . . . 25.0 112.409 -177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.6 ptpp? -148.68 173.13 13.53 Favored 'General case' 0 C--O 1.216 -0.677 0 N-CA-C 107.914 -1.143 . . . . 25.0 107.914 -178.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.2 t -69.68 -5.18 23.16 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.751 1.389 . . . . 25.0 114.751 -176.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 6.3 m-20 -97.59 3.71 50.41 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.867 -0.606 . . . . 25.0 110.214 -176.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -94.27 155.04 17.22 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 115.947 1.832 . . . . 25.0 115.947 -174.567 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -126.47 136.11 52.22 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 113.772 -1.558 . . . . 25.0 108.044 174.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -112.58 142.95 44.55 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.798 -0.815 . . . . 25.0 108.798 -176.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.2 mt -109.63 146.67 34.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.835 0.35 . . . . 25.0 111.655 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.5 mm -111.41 117.82 55.99 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 N-CA-C 107.937 -1.135 . . . . 25.0 107.937 178.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -119.89 157.42 28.79 Favored 'General case' 0 C--O 1.215 -0.753 0 N-CA-C 109.385 -0.598 . . . . 25.0 109.385 -175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -99.28 145.24 17.52 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-O 122.255 0.919 . . . . 25.0 111.789 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -86.22 166.37 15.76 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 107.763 -1.199 . . . . 25.0 107.763 174.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.3 mm -109.3 128.85 64.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 105.908 -1.886 . . . . 25.0 105.908 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 41.9 t -147.85 153.12 38.74 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.141 -1.059 . . . . 25.0 108.141 -178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -86.5 69.95 10.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.292 1.044 . . . . 25.0 109.737 179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.1 p . . . . . 0 C--O 1.215 -0.714 0 CA-C-O 124.839 2.257 . . . . 25.0 111.022 -178.324 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 52.9 p-80 . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 121.631 0.729 . . . . 25.0 112.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -121.49 161.59 21.59 Favored 'Isoleucine or valine' 0 C--N 1.339 0.118 0 CA-C-O 121.241 0.543 . . . . 25.0 109.965 179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.427 ' HG2' ' H ' ' A' ' 97' ' ' GLU . 9.9 pt-20 -79.77 147.98 31.64 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.21 -0.905 . . . . 25.0 108.894 176.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -88.77 -22.43 39.43 Favored Glycine 0 C--O 1.227 -0.339 0 N-CA-C 111.176 -0.769 . . . . 25.0 111.176 178.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.2 mtt-85 64.49 -63.42 0.17 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 116.636 2.088 . . . . 25.0 116.636 176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.37 146.65 30.72 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 107.801 -1.185 . . . . 25.0 107.801 -175.274 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 17.2 ptt? -144.33 153.27 41.82 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.335 -0.617 . . . . 25.0 109.335 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -103.81 112.65 25.69 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 106.735 -1.579 . . . . 25.0 106.735 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.4 mt -107.07 122.68 46.96 Favored 'General case' 0 CA--C 1.493 -1.216 0 N-CA-C 109.294 -0.632 . . . . 25.0 109.294 -178.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.9 m -89.59 132.48 35.09 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 108.495 -0.928 . . . . 25.0 108.495 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -109.76 135.97 47.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.637 -1.246 . . . . 25.0 107.637 -176.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -138.99 137.28 36.21 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.208 0.528 . . . . 25.0 111.081 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -97.08 102.69 14.52 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.133 0.492 . . . . 25.0 110.527 -176.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -14.25 58.6 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-O 121.486 0.66 . . . . 25.0 111.456 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 60.6 mt -80.88 -33.95 33.97 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 113.623 0.971 . . . . 25.0 113.623 178.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 65.9 p -120.21 -18.84 7.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.423 0.898 . . . . 25.0 113.423 -168.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.97 -0.52 87.7 Favored Glycine 0 CA--C 1.519 0.342 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.029 -176.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 57.0 mt-10 -71.21 140.57 50.51 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 122.431 -0.452 . . . . 25.0 110.361 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -111.32 122.07 65.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 N-CA-C 105.228 -2.138 . . . . 25.0 105.228 174.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 54.7 m-85 -100.23 175.99 5.53 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.846 -1.539 . . . . 25.0 106.846 -179.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.15 150.54 47.52 Favored Glycine 0 CA--C 1.495 -1.17 0 N-CA-C 117.076 1.59 . . . . 25.0 117.076 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.73 116.46 4.57 Favored 'Trans proline' 0 N--CA 1.455 -0.736 1 C-N-CA 111.956 -4.896 . . . . 25.0 107.806 160.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.5 pt -96.02 137.14 24.78 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.299 0 CA-C-N 114.513 -1.221 . . . . 25.0 109.398 -177.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -86.92 104.94 16.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.627 -1.169 . . . . 25.0 109.306 -173.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.0 m -126.36 165.87 23.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.037 -0.983 . . . . 25.0 109.997 -176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 13.6 m -103.37 152.78 21.18 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.163 0.506 . . . . 25.0 110.95 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -60.65 -29.41 69.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.741 -0.663 . . . . 25.0 112.306 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -97.71 12.54 33.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.735 0.779 . . . . 25.0 111.788 -175.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -70.43 142.55 52.0 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 105.272 -2.121 . . . . 25.0 105.272 173.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.59 155.11 38.21 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.392 -0.966 . . . . 25.0 108.392 178.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.62 -41.55 81.53 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.91 -0.774 . . . . 25.0 108.91 175.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.3 p -66.65 -31.23 71.78 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.644 -0.423 . . . . 25.0 111.322 -178.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.89 -35.12 59.95 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.516 -0.549 . . . . 25.0 109.516 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 56.7 tp -60.2 -45.27 93.71 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 108.029 -1.1 . . . . 25.0 108.029 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 85.9 mt -63.96 -35.78 74.59 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.593 0 O-C-N 122.247 -0.283 . . . . 25.0 110.541 178.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.59 -40.33 82.89 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 121.93 -0.481 . . . . 25.0 110.453 177.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -68.45 -42.39 78.89 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.133 -0.321 . . . . 25.0 110.133 176.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.9 -31.0 72.03 Favored 'General case' 0 C--O 1.216 -0.671 0 N-CA-C 112.632 0.604 . . . . 25.0 112.632 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -64.5 -38.18 90.14 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 122.103 -0.373 . . . . 25.0 110.418 175.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.02 -43.75 23.66 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 112.793 0.664 . . . . 25.0 112.793 -177.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -90.73 -57.93 2.65 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.306 0.854 . . . . 25.0 113.306 -174.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.49 -4.36 59.16 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.054 0.761 . . . . 25.0 113.054 -175.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.65 23.87 72.4 Favored Glycine 0 CA--C 1.518 0.273 0 C-N-CA 121.341 -0.457 . . . . 25.0 112.782 -178.265 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.0 t80 -76.52 104.13 6.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 121.911 -0.758 . . . . 25.0 110.8 -175.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -85.33 111.5 19.95 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 107.806 -1.183 . . . . 25.0 107.806 173.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.5 pttp -71.14 -6.95 43.24 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.857 1.058 . . . . 25.0 113.857 -174.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -98.02 -19.41 18.02 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 121.968 -0.458 . . . . 25.0 111.382 177.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 57.8 mmtt -102.6 -21.75 14.11 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.405 0.621 . . . . 25.0 110.277 176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 49.3 m80 -131.78 163.75 27.53 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.382 -0.826 . . . . 25.0 109.42 -174.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -129.41 149.1 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.535 -0.543 . . . . 25.0 109.535 176.19 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -91.01 143.07 27.1 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.26 -1.385 . . . . 25.0 107.26 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -126.02 140.14 52.85 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 120.913 0.387 . . . . 25.0 110.142 178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 36.6 t80 -140.06 135.28 32.46 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.387 -1.709 . . . . 25.0 106.387 174.523 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 55.93 28.48 12.67 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 121.551 0.691 . . . . 25.0 109.914 -174.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.5 mtp 63.32 15.87 9.02 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 115.212 1.56 . . . . 25.0 115.212 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -113.43 161.81 16.87 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.104 -1.443 . . . . 25.0 107.104 172.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.08 128.02 38.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-O 121.264 0.554 . . . . 25.0 111.839 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -84.92 117.95 24.24 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 106.34 -1.726 . . . . 25.0 106.34 170.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -66.2 107.59 2.0 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.638 0.732 . . . . 25.0 109.465 179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 82.4 p -62.56 -7.06 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 115.276 1.584 . . . . 25.0 115.276 -176.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.3 t30 -101.06 -0.98 35.34 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 113.493 0.923 . . . . 25.0 113.493 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -82.01 147.74 29.02 Favored 'General case' 0 C--O 1.216 -0.697 0 O-C-N 121.84 -0.537 . . . . 25.0 111.595 -178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.3 p -108.31 29.15 7.61 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.983 -0.553 . . . . 25.0 110.735 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -74.86 166.33 23.8 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.273 -1.01 . . . . 25.0 108.273 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.8 m -93.2 158.01 15.98 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 107.094 -1.447 . . . . 25.0 107.094 175.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.8 mt -61.42 -29.09 69.72 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.205 0.526 . . . . 25.0 111.008 -179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttp -58.93 -36.83 75.41 Favored 'General case' 0 N--CA 1.442 -0.848 0 C-N-CA 124.142 0.977 . . . . 25.0 112.897 176.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -73.06 -29.87 63.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.324 0.583 . . . . 25.0 110.358 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 39.4 mt -77.43 -10.49 59.49 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 25.0 109.8 -179.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.69 20.82 62.95 Favored Glycine 0 N--CA 1.454 -0.152 0 CA-C-N 115.405 -0.816 . . . . 25.0 112.746 176.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 69.2 mt -75.25 147.9 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.157 0.503 . . . . 25.0 112.102 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.512 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.4 ptpp? -150.19 173.48 13.88 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 108.041 -1.096 . . . . 25.0 108.041 -178.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -68.26 -6.78 25.65 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.107 1.151 . . . . 25.0 114.107 -177.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.512 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.1 t0 -94.05 4.47 53.86 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.413 0.625 . . . . 25.0 110.314 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -99.24 151.9 20.51 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 115.719 1.748 . . . . 25.0 115.719 -176.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -125.94 135.64 52.1 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.045 -1.434 . . . . 25.0 107.406 174.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -109.62 144.1 38.41 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.563 -0.902 . . . . 25.0 108.563 -175.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.4 mt -112.92 144.07 43.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.016 0.436 . . . . 25.0 111.328 -178.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 7.7 mm -111.35 124.5 68.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -126.77 161.71 27.53 Favored 'General case' 0 C--O 1.214 -0.781 0 N-CA-C 109.652 -0.499 . . . . 25.0 109.652 177.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.32 146.69 16.96 Favored Glycine 0 CA--C 1.502 -0.749 0 N-CA-C 109.081 -1.608 . . . . 25.0 109.081 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 49.4 pttt -122.4 161.88 22.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.26 -0.47 . . . . 25.0 110.171 178.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mp -71.97 111.08 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.915 -1.142 . . . . 25.0 107.915 -179.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 42.8 t -149.43 113.43 5.14 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.332 -0.395 . . . . 25.0 111.012 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 45.7 47.12 11.72 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.651 0.781 . . . . 25.0 113.093 177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 C--O 1.205 -1.279 0 CA-C-O 123.221 1.486 . . . . 25.0 111.464 -179.877 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.9 m80 . . . . . 0 N--CA 1.479 1.025 0 CA-C-O 123.788 1.756 . . . . 25.0 113.827 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.1 pt -130.52 157.21 42.91 Favored 'Isoleucine or valine' 0 C--O 1.239 0.515 0 CA-C-N 113.304 -1.771 . . . . 25.0 107.874 178.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -86.74 167.22 14.64 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.641 -0.503 . . . . 25.0 109.641 178.052 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -168.97 -140.42 2.94 Favored Glycine 0 C--O 1.223 -0.543 0 N-CA-C 111.008 -0.837 . . . . 25.0 111.008 -179.444 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 89.0 mtt-85 58.51 21.77 8.92 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 124.058 0.943 . . . . 25.0 113.394 179.615 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -108.09 142.77 37.78 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 105.155 -2.165 . . . . 25.0 105.155 175.526 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 15.8 ptt? -139.18 153.7 47.95 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.908 -1.145 . . . . 25.0 107.908 178.62 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -102.93 118.65 37.3 Favored 'General case' 0 C--N 1.32 -0.707 0 O-C-N 124.258 0.974 . . . . 25.0 109.02 -175.998 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.3 mp -110.91 134.18 52.77 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 108.884 -0.784 . . . . 25.0 108.884 176.614 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 31.1 m -101.38 136.91 40.45 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.046 -0.724 . . . . 25.0 109.046 -178.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 14.5 mm -115.76 139.47 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.978 -0.749 . . . . 25.0 108.978 -176.112 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.7 m -139.71 143.09 36.89 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.182 0.515 . . . . 25.0 111.074 176.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -99.02 103.69 15.66 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.367 0.604 . . . . 25.0 112.004 -176.254 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -61.79 -23.07 65.98 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.733 0.777 . . . . 25.0 111.53 178.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.98 -24.27 26.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 115.636 1.717 . . . . 25.0 115.636 -177.449 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.3 p -125.78 -13.82 6.33 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.053 0.454 . . . . 25.0 111.731 -172.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 83.99 -2.28 87.78 Favored Glycine 0 CA--C 1.521 0.443 0 CA-C-N 115.756 -0.656 . . . . 25.0 112.732 -178.471 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -70.82 148.9 47.37 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.898 0.38 . . . . 25.0 111.653 -177.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.6 mm -117.28 121.38 67.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 N-CA-C 107.42 -1.326 . . . . 25.0 107.42 178.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -97.04 173.14 7.42 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.807 -1.182 . . . . 25.0 107.807 179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -83.09 162.73 40.84 Favored Glycine 0 CA--C 1.493 -1.315 0 N-CA-C 117.918 1.927 . . . . 25.0 117.918 -171.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -70.89 121.79 8.22 Favored 'Trans proline' 0 CA--C 1.503 -1.073 0 C-N-CA 113.752 -3.699 . . . . 25.0 111.27 162.783 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.8 pt -103.67 136.51 36.32 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.441 0 CA-C-N 112.836 -1.984 . . . . 25.0 110.013 -179.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.517 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 78.5 mt-10 -83.2 105.91 14.55 Favored 'General case' 0 C--O 1.238 0.488 0 CA-C-N 114.72 -1.127 . . . . 25.0 110.734 -177.299 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.6 m -121.52 167.51 14.93 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.657 -0.498 . . . . 25.0 109.657 179.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 32.7 m -110.91 152.33 26.87 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 114.252 1.204 . . . . 25.0 114.252 -176.413 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -61.1 -29.9 70.04 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 115.527 -0.761 . . . . 25.0 112.788 -179.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -98.07 7.41 46.34 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.019 -0.537 . . . . 25.0 111.975 -175.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -67.7 143.26 56.02 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.067 -1.457 . . . . 25.0 107.067 173.591 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.42 150.43 31.31 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 106.902 -1.518 . . . . 25.0 106.902 176.84 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 54.9 tp -59.33 -36.54 75.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.211 0.529 . . . . 25.0 110.381 177.582 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 17.3 p -63.1 -34.31 77.32 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.514 -0.312 . . . . 25.0 111.291 179.324 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -77.46 -34.63 54.38 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.297 -0.26 . . . . 25.0 110.297 178.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.5 tp -59.75 -47.7 84.62 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 108.906 -0.776 . . . . 25.0 108.906 174.207 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 77.4 mt -66.26 -33.49 63.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.696 0 O-C-N 121.621 -0.674 . . . . 25.0 109.669 179.074 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.34 -37.2 82.46 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 121.641 -0.662 . . . . 25.0 111.404 176.601 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.5 tp -65.24 -43.05 92.66 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.196 -0.668 . . . . 25.0 109.196 176.387 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 94.6 mt -65.77 -28.78 69.27 Favored 'General case' 0 C--O 1.219 -0.549 0 N-CA-C 112.333 0.494 . . . . 25.0 112.333 179.258 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 64.3 mt-30 -64.18 -40.1 95.4 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.962 -0.384 . . . . 25.0 109.962 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.89 -46.96 17.39 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 114.071 1.137 . . . . 25.0 114.071 -177.307 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -87.39 -52.02 5.61 Favored 'General case' 0 N--CA 1.473 0.695 0 CA-C-O 121.704 0.764 . . . . 25.0 112.533 -174.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 61.7 m -89.61 -4.48 57.8 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 -175.899 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.88 22.63 72.22 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 121.48 -0.391 . . . . 25.0 113.315 -179.488 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -74.94 117.43 16.77 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.157 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.25 118.88 37.78 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 121.738 -0.601 . . . . 25.0 109.687 169.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -60.32 -6.38 1.49 Allowed 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 115.278 1.585 . . . . 25.0 115.278 178.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 19.6 p -96.21 -20.1 18.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 113.165 0.802 . . . . 25.0 113.165 179.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 25.9 mttt -117.11 -23.31 7.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 N-CA-C 109.63 -0.507 . . . . 25.0 109.63 -179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -126.28 163.46 23.16 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.143 -0.935 . . . . 25.0 109.707 -179.664 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.08 147.63 48.9 Favored 'General case' 0 C--O 1.24 0.588 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -179.614 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 57.6 tp -109.78 126.13 53.44 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 108.306 -0.998 . . . . 25.0 108.306 -178.679 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -111.36 138.44 47.85 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.282 -1.007 . . . . 25.0 108.282 -178.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -133.67 125.85 29.54 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 106.983 -1.488 . . . . 25.0 106.983 178.534 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 20.1 t30 44.21 54.25 6.19 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-O 121.719 0.771 . . . . 25.0 112.753 179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 70.3 mtp 64.96 13.83 8.9 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 116.93 2.196 . . . . 25.0 116.93 176.509 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.27 165.48 22.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 109.794 -0.446 . . . . 25.0 109.794 176.613 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 52.1 mt -93.21 130.58 42.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 123.59 0.756 . . . . 25.0 110.858 -175.372 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 25.2 mt -86.41 123.09 31.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.599 0.714 . . . . 25.0 112.818 178.487 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -76.03 107.43 8.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.549 -0.751 . . . . 25.0 109.107 175.122 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.3 m -65.87 -3.87 5.85 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 116.485 2.032 . . . . 25.0 116.485 -177.274 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -97.61 -5.66 35.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 118.017 0.371 . . . . 25.0 111.789 179.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -77.73 124.0 27.4 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.787 -0.365 . . . . 25.0 110.398 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -93.1 31.11 1.49 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.093 0.473 . . . . 25.0 111.516 177.865 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -76.75 164.72 25.59 Favored 'General case' 0 CA--C 1.509 -0.623 0 N-CA-C 109.463 -0.569 . . . . 25.0 109.463 -179.775 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 4.6 m -87.92 155.12 20.01 Favored 'General case' 0 C--N 1.318 -0.799 0 N-CA-C 106.614 -1.624 . . . . 25.0 106.614 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 56.3 mt -62.09 -30.16 70.81 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.592 0.711 . . . . 25.0 110.68 178.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -61.72 -34.37 75.66 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 113.154 0.798 . . . . 25.0 113.154 175.686 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -72.34 -27.81 62.65 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.603 0.716 . . . . 25.0 110.377 -179.454 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.4 mt -81.92 -12.57 58.34 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.455 -0.793 . . . . 25.0 109.204 -179.458 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.37 80.42 Favored Glycine 0 C--N 1.329 0.187 0 CA-C-N 115.229 -0.896 . . . . 25.0 114.568 174.167 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.3 pp -80.51 164.23 23.13 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 113.347 0.869 . . . . 25.0 113.347 -177.44 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -147.12 177.84 8.85 Favored 'General case' 0 C--O 1.216 -0.682 0 N-CA-C 113.882 1.067 . . . . 25.0 113.882 -170.751 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 10.9 t -71.47 7.07 1.51 Allowed 'General case' 0 N--CA 1.483 1.211 0 N-CA-C 115.456 1.65 . . . . 25.0 115.456 -179.674 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -111.77 7.04 20.1 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.053 -1.091 . . . . 25.0 108.053 -174.296 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 85.7 m-20 -102.48 155.55 18.19 Favored 'General case' 0 C--O 1.245 0.857 0 N-CA-C 114.784 1.401 . . . . 25.0 114.784 -168.539 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 5.7 tt -131.96 140.9 49.14 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 114.828 -1.078 . . . . 25.0 110.277 179.2 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 6.5 mp -117.33 153.54 32.81 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 123.398 0.679 . . . . 25.0 110.297 -175.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 91.3 mt -122.14 137.54 54.79 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.533 0.568 . . . . 25.0 112.533 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 23.0 mm -100.93 119.14 48.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 107.877 -1.157 . . . . 25.0 107.877 175.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 60.3 ttt-85 -120.17 163.23 18.05 Favored 'General case' 0 C--O 1.207 -1.169 0 N-CA-C 108.052 -1.092 . . . . 25.0 108.052 178.691 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -98.66 146.5 18.17 Favored Glycine 0 N--CA 1.447 -0.569 0 N-CA-C 109.713 -1.355 . . . . 25.0 109.713 178.825 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -71.17 -41.81 69.91 Favored 'General case' 0 N--CA 1.473 0.698 0 N-CA-C 108.226 -1.027 . . . . 25.0 108.226 176.271 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 37.3 mm -128.28 138.66 54.04 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 105.569 -2.012 . . . . 25.0 105.569 -178.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 58.0 p -150.83 152.42 33.72 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 106.338 -1.727 . . . . 25.0 106.338 176.341 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -139.44 20.98 2.56 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.596 0.591 . . . . 25.0 112.596 -176.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 C--O 1.209 -1.033 0 CA-C-O 124.64 2.162 . . . . 25.0 111.311 -176.782 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.5 m80 . . . . . 0 N--CA 1.483 1.201 0 CA-C-O 123.042 1.401 . . . . 25.0 114.486 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.7 mm -102.42 133.71 45.3 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.119 0 N-CA-C 106.721 -1.585 . . . . 25.0 106.721 178.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -73.75 169.34 17.55 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.131 0.491 . . . . 25.0 111.721 -179.238 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.44 -112.86 3.67 Favored Glycine 0 N--CA 1.455 -0.08 0 C-N-CA 121.143 -0.551 . . . . 25.0 112.758 177.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 15.2 mtp-105 56.07 -106.97 0.36 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.67 0.788 . . . . 25.0 112.119 -179.869 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -137.23 146.24 44.58 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 104.137 -2.542 . . . . 25.0 104.137 179.44 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -129.54 147.9 51.39 Favored 'General case' 0 C--N 1.317 -0.825 0 N-CA-C 105.446 -2.057 . . . . 25.0 105.446 178.268 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -106.12 110.61 22.92 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 108.21 -1.033 . . . . 25.0 108.21 -171.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -110.11 127.38 54.85 Favored 'General case' 0 CA--C 1.494 -1.199 0 CA-C-O 121.329 0.585 . . . . 25.0 110.028 -175.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.7 m -88.3 138.33 31.54 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.894 -1.048 . . . . 25.0 109.026 -177.097 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 18.5 mm -114.75 132.55 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.673 -1.232 . . . . 25.0 107.673 -177.807 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.5 t -132.01 131.33 42.43 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.572 0.701 . . . . 25.0 112.062 -179.557 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.7 OUTLIER -87.57 105.34 17.26 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-O 121.411 0.624 . . . . 25.0 111.927 178.406 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -21.96 65.16 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-O 121.269 0.557 . . . . 25.0 110.642 179.427 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.9 mt -76.15 -37.55 57.84 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 113.391 0.886 . . . . 25.0 113.391 -178.494 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.8 p -114.46 -15.41 12.06 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -172.023 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.63 -2.05 88.03 Favored Glycine 0 CA--C 1.519 0.33 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.203 -176.386 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -70.87 150.17 46.04 Favored 'General case' 0 C--O 1.24 0.599 0 CA-C-O 121.865 0.841 . . . . 25.0 112.638 -177.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.1 mm -117.89 122.22 69.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 179.006 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 41.0 m-85 -100.8 171.04 7.92 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 106.302 -1.74 . . . . 25.0 106.302 178.227 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.23 152.45 52.03 Favored Glycine 0 CA--C 1.496 -1.094 0 N-CA-C 117.404 1.722 . . . . 25.0 117.404 -170.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -69.46 115.6 4.13 Favored 'Trans proline' 0 N--CA 1.456 -0.729 1 C-N-CA 111.99 -4.873 . . . . 25.0 107.974 160.01 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -96.98 135.9 29.56 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.301 0 CA-C-N 114.369 -1.287 . . . . 25.0 109.005 -177.152 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -86.93 106.47 17.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 123.136 1.446 . . . . 25.0 109.352 -174.294 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.8 m -122.99 165.77 18.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 114.16 -1.382 . . . . 25.0 109.295 -175.666 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 m -101.87 150.77 22.84 Favored 'General case' 0 CA--C 1.505 -0.785 0 N-CA-C 109.092 -0.707 . . . . 25.0 109.092 179.08 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -69.42 -18.68 63.77 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.094 0.474 . . . . 25.0 110.981 178.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -86.73 -2.64 58.7 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.433 0.635 . . . . 25.0 111.785 179.201 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 11.8 ttt -68.92 142.0 54.86 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 107.765 -1.198 . . . . 25.0 107.765 179.017 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.24 154.25 37.62 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.077 -0.712 . . . . 25.0 109.077 178.286 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.21 -41.05 83.19 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.628 -0.879 . . . . 25.0 108.628 174.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 30.3 p -66.38 -32.32 73.64 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.259 -178.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -75.94 -35.11 59.84 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.387 -0.597 . . . . 25.0 109.387 -177.414 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 47.2 tp -60.68 -45.07 95.54 Favored 'General case' 0 C--O 1.22 -0.489 0 N-CA-C 108.485 -0.932 . . . . 25.0 108.485 174.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.2 mt -64.62 -34.66 71.31 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.613 0 O-C-N 121.914 -0.491 . . . . 25.0 110.205 178.095 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.456 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.63 -41.35 81.18 Favored 'General case' 0 C--N 1.321 -0.631 0 O-C-N 121.744 -0.597 . . . . 25.0 110.464 176.824 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.2 tp -69.14 -42.69 75.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.752 0.311 . . . . 25.0 110.591 176.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.2 mt -65.39 -31.33 72.39 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.529 0.566 . . . . 25.0 112.529 -178.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.456 HE21 ' HA ' ' A' ' 130' ' ' ALA . 35.6 mt-30 -63.82 -36.9 85.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 122.066 -0.396 . . . . 25.0 110.86 174.438 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.98 -46.33 18.46 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.645 0.609 . . . . 25.0 112.645 -178.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -90.16 -57.75 2.74 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.642 0.979 . . . . 25.0 113.642 -174.245 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 71.6 m -81.9 -6.94 59.53 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 112.58 0.585 . . . . 25.0 112.58 -175.518 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.17 24.76 72.06 Favored Glycine 0 C--O 1.24 0.503 0 N-CA-C 110.803 -0.919 . . . . 25.0 110.803 -177.165 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -82.79 105.03 13.48 Favored 'General case' 0 C--O 1.212 -0.92 0 N-CA-C 108.032 -1.099 . . . . 25.0 108.032 -177.437 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -100.18 121.04 40.8 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 106.357 -1.72 . . . . 25.0 106.357 173.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 6.1 pttm -56.41 -12.81 1.85 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 114.531 1.308 . . . . 25.0 114.531 179.251 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 75.3 p -86.22 -28.65 23.72 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.724 0.639 . . . . 25.0 112.724 179.407 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 18.9 ptmt -114.39 -20.59 10.76 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.255 0.55 . . . . 25.0 110.708 -174.193 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.418 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 46.0 m170 -124.7 158.85 32.2 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -179.508 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -124.68 149.43 47.19 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.844 -0.799 . . . . 25.0 108.844 -179.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -104.96 136.36 44.58 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.65 -0.871 . . . . 25.0 108.65 -178.393 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.9 m-85 -124.24 141.82 51.75 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-O 121.242 0.544 . . . . 25.0 110.648 178.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -142.41 135.31 28.4 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 106.514 -1.662 . . . . 25.0 106.514 176.087 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.1 t30 52.46 35.15 16.87 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.507 0.67 . . . . 25.0 110.07 -176.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 54.5 mtp 63.13 10.56 4.63 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.958 1.836 . . . . 25.0 115.958 -178.691 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -115.04 164.17 14.56 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 177.375 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 66.1 mt -82.88 129.06 38.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.546 0.689 . . . . 25.0 112.654 -174.094 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 79.1 mt -89.57 104.07 16.66 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 171.421 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -62.13 126.47 27.46 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 108.161 -1.052 . . . . 25.0 108.161 176.589 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.4 m -69.43 -9.79 55.16 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.526 0.935 . . . . 25.0 113.526 -176.263 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -92.14 -0.68 57.43 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 111.868 0.321 . . . . 25.0 111.868 179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -65.57 126.0 26.98 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.106 -1.072 . . . . 25.0 108.106 176.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.4 p -99.47 25.55 6.92 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.287 -0.634 . . . . 25.0 109.287 177.346 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.81 167.81 17.74 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.475 -0.784 . . . . 25.0 109.394 -178.219 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 81.4 p -97.33 164.31 12.52 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.578 -0.897 . . . . 25.0 108.578 173.359 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 30.2 mt -63.51 -29.68 70.91 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.469 -0.332 . . . . 25.0 111.617 -176.417 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -57.56 -40.83 79.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 25.0 111.801 175.694 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -73.08 -24.89 60.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.085 0.469 . . . . 25.0 111.313 -177.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.23 -15.44 58.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.04 -0.527 . . . . 25.0 109.762 179.365 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.05 16.92 58.67 Favored Glycine 0 C--N 1.327 0.056 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.796 177.635 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.2 mt -70.78 152.32 43.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.114 0.483 . . . . 25.0 110.921 -179.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpp? -152.73 171.55 18.05 Favored 'General case' 0 C--O 1.214 -0.793 0 N-CA-C 107.524 -1.288 . . . . 25.0 107.524 -174.812 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.5 t -72.24 -8.02 52.55 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-O 121.926 0.87 . . . . 25.0 112.773 -177.678 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -99.13 12.89 34.78 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.072 -0.967 . . . . 25.0 110.932 -175.474 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.19 165.31 13.06 Favored 'General case' 0 N--CA 1.473 0.675 0 N-CA-C 117.713 2.486 . . . . 25.0 117.713 -169.062 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 43.9 tp -128.86 138.55 52.1 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 114.637 -1.165 . . . . 25.0 112.169 -175.227 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -112.15 142.53 44.49 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 108.29 -1.004 . . . . 25.0 108.29 175.315 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.3 mt -116.91 137.98 51.84 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 111.948 0.351 . . . . 25.0 111.948 -177.749 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 31.3 mm -104.85 121.57 56.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.43 -0.582 . . . . 25.0 109.43 179.186 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -115.96 -179.52 3.68 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.393 -0.966 . . . . 25.0 108.393 178.858 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -110.72 144.73 17.28 Favored Glycine 0 C--O 1.223 -0.548 0 N-CA-C 109.533 -1.427 . . . . 25.0 109.533 176.431 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -70.79 -33.75 71.06 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-O 122.116 0.96 . . . . 25.0 108.789 175.643 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.1 mp -82.54 129.98 36.53 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.195 -1.366 . . . . 25.0 108.222 -179.392 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 80.4 p -136.17 163.1 31.15 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 178.54 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 50.06 40.12 20.72 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 122.1 0.953 . . . . 25.0 112.439 179.438 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 C--O 1.216 -0.691 0 CA-C-O 124.628 2.156 . . . . 25.0 112.497 -179.033 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 55.3 m170 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 115.127 1.528 . . . . 25.0 115.127 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 4.7 mp -124.43 131.56 72.6 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.421 0 N-CA-C 107.535 -1.283 . . . . 25.0 107.535 -178.739 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 -112.94 175.79 5.29 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 114.644 -1.162 . . . . 25.0 109.202 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 77.56 36.94 32.16 Favored Glycine 0 C--O 1.237 0.281 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -176.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -119.41 160.93 21.39 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 114.679 1.363 . . . . 25.0 114.679 -172.235 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -82.57 143.35 31.11 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 102.517 -3.142 . . . . 25.0 102.517 163.811 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.5 ptt? -131.65 148.81 52.63 Favored 'General case' 0 C--N 1.316 -0.863 0 N-CA-C 106.033 -1.84 . . . . 25.0 106.033 179.444 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -104.07 109.14 20.81 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 -171.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -107.14 131.25 54.34 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 109.008 -0.738 . . . . 25.0 109.008 -175.631 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.5 m -96.02 137.66 34.77 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.479 -0.782 . . . . 25.0 109.1 -178.316 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.7 mm -110.27 135.61 48.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 107.415 -1.328 . . . . 25.0 107.415 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.4 t -134.07 133.97 41.79 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.56 0.695 . . . . 25.0 111.791 -179.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -86.24 105.34 16.54 Favored 'General case' 0 N--CA 1.436 -1.164 0 N-CA-C 113.105 0.78 . . . . 25.0 113.105 179.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.88 -13.13 62.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.938 -0.574 . . . . 25.0 111.301 179.404 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 97.4 mt -87.57 -40.31 14.36 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.867 0.691 . . . . 25.0 112.867 178.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 34.8 p -109.96 -17.5 13.6 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 113.571 0.952 . . . . 25.0 113.571 -171.615 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.29 -6.3 83.6 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.614 -0.327 . . . . 25.0 112.397 -176.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -71.23 147.14 48.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.465 0.65 . . . . 25.0 111.929 -178.849 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.6 mm -111.62 126.1 68.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 107.783 -1.192 . . . . 25.0 107.783 -179.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -95.99 174.26 7.02 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 107.902 -1.147 . . . . 25.0 107.902 178.323 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.13 49.31 Favored Glycine 0 CA--C 1.498 -0.986 0 N-CA-C 117.716 1.846 . . . . 25.0 117.716 -172.317 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -72.51 118.24 5.5 Favored 'Trans proline' 0 CA--C 1.502 -1.116 1 C-N-CA 111.734 -5.044 . . . . 25.0 109.739 159.959 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 26.0 pt -103.77 136.08 38.45 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.48 0 CA-C-N 111.796 -2.457 . . . . 25.0 110.696 -176.757 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -87.02 105.13 16.94 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 122.7 1.238 . . . . 25.0 110.473 -176.028 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -120.25 167.22 13.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 114.65 -1.159 . . . . 25.0 109.006 -177.471 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 14.8 m -104.85 150.33 24.92 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.135 0.493 . . . . 25.0 112.128 -177.143 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.32 -26.35 68.44 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.577 0.704 . . . . 25.0 111.088 179.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -87.66 -6.2 58.36 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.768 -0.651 . . . . 25.0 112.583 -178.847 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.2 ttt -64.91 141.77 58.66 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 107.903 -1.147 . . . . 25.0 107.903 179.501 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.89 153.79 36.48 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.953 -0.758 . . . . 25.0 108.953 178.764 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -57.84 -41.27 81.97 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.872 -0.788 . . . . 25.0 108.872 175.355 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.0 p -66.12 -33.08 74.97 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.863 -0.608 . . . . 25.0 110.929 -178.083 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -75.91 -35.86 59.65 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.442 -0.577 . . . . 25.0 109.442 -176.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.4 tp -58.92 -45.54 90.1 Favored 'General case' 0 C--O 1.22 -0.495 0 N-CA-C 108.899 -0.778 . . . . 25.0 108.899 174.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.8 mt -67.81 -33.48 61.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 121.655 -0.653 . . . . 25.0 110.179 179.553 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.06 90.08 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.671 -0.643 . . . . 25.0 110.054 176.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.71 -44.6 81.19 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.751 -0.463 . . . . 25.0 109.751 176.446 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.4 mt -64.51 -32.29 73.86 Favored 'General case' 0 C--O 1.217 -0.622 0 N-CA-C 112.473 0.545 . . . . 25.0 112.473 -177.459 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 37.6 mt-30 -65.79 -37.31 85.94 Favored 'General case' 0 C--N 1.32 -0.703 0 O-C-N 122.393 -0.192 . . . . 25.0 111.085 174.467 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.01 -45.21 20.69 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 112.946 0.721 . . . . 25.0 112.946 -177.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -93.06 -57.91 2.49 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.315 0.857 . . . . 25.0 113.315 -174.233 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.8 m -81.05 -6.92 59.37 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.444 0.535 . . . . 25.0 112.444 -176.274 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.11 27.61 73.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 121.226 -0.511 . . . . 25.0 112.061 -178.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -72.45 104.35 3.77 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 107.646 -1.242 . . . . 25.0 107.646 -179.153 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -81.31 102.15 10.24 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.47 -1.307 . . . . 25.0 107.47 178.123 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.9 ptmm? -65.37 -2.28 3.06 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 117.156 2.28 . . . . 25.0 117.156 -173.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.7 t -110.86 -15.36 13.81 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.367 0.53 . . . . 25.0 111.317 177.009 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -99.67 -19.71 16.66 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 109.586 -0.524 . . . . 25.0 109.586 172.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 60.6 m80 -129.14 163.7 24.94 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.773 -0.649 . . . . 25.0 111.952 -174.556 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.41 152.15 47.89 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.963 -1.125 . . . . 25.0 107.963 179.343 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.78 138.27 47.39 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.168 -0.678 . . . . 25.0 109.168 -179.975 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -124.47 144.08 50.28 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.078 0.466 . . . . 25.0 111.28 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -147.63 139.26 23.91 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 106.777 -1.564 . . . . 25.0 106.777 173.105 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.9 t30 51.18 37.38 18.17 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.553 0.692 . . . . 25.0 111.813 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.8 mtp 60.23 19.31 8.72 Favored 'General case' 0 N--CA 1.478 0.928 0 N-CA-C 114.891 1.441 . . . . 25.0 114.891 -179.321 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -120.8 163.86 17.51 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 175.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.7 mt -88.4 129.88 38.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 108.818 -0.808 . . . . 25.0 108.818 -178.977 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 85.0 mt -81.48 95.84 7.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.758 -1.201 . . . . 25.0 107.758 174.476 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.7 128.7 38.37 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.719 -1.215 . . . . 25.0 107.719 176.216 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 11.3 m -80.8 -7.17 59.33 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 115.026 1.491 . . . . 25.0 115.026 -174.462 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -85.98 -27.16 25.04 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.747 -0.381 . . . . 25.0 111.551 -178.162 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 24.9 ptt180 -72.07 135.01 46.15 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-O 121.65 0.738 . . . . 25.0 111.529 -176.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.2 p -102.51 32.03 3.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.421 -0.809 . . . . 25.0 111.651 -173.588 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -70.22 164.8 23.52 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 179.464 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.3 m -91.91 158.86 16.05 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.011 -1.477 . . . . 25.0 107.011 175.778 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 29.8 mt -60.17 -31.66 70.33 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.032 0.444 . . . . 25.0 111.467 -178.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -59.02 -38.47 79.36 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 113.108 0.781 . . . . 25.0 113.108 176.74 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -74.01 -23.28 59.4 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.172 0.511 . . . . 25.0 110.741 -178.08 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 60.2 mt -80.83 -13.17 59.18 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.134 -0.691 . . . . 25.0 109.134 177.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.84 17.1 60.28 Favored Glycine 0 N--CA 1.453 -0.202 0 CA-C-N 115.472 -0.786 . . . . 25.0 112.589 177.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 67.0 mt -72.15 142.89 49.1 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 112.518 0.562 . . . . 25.0 112.518 -177.431 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -139.36 173.99 10.98 Favored 'General case' 0 C--O 1.213 -0.858 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 178.927 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.3 t -69.62 1.55 4.04 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.795 1.406 . . . . 25.0 114.795 -179.525 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -113.57 9.84 18.01 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.855 0.836 . . . . 25.0 109.15 -174.724 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -96.91 158.31 15.49 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.995 1.48 . . . . 25.0 114.995 -177.536 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 34.2 tp -122.69 133.87 54.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.051 -1.432 . . . . 25.0 109.606 176.945 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -106.58 142.28 36.49 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 108.001 -1.111 . . . . 25.0 108.001 177.792 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 81.6 mt -116.22 134.38 54.98 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.745 0.646 . . . . 25.0 112.745 -176.619 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.2 mm -103.01 122.46 55.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.538 0 CA-C-N 115.847 -0.615 . . . . 25.0 109.421 -179.332 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 14.7 tpt180 -122.96 170.88 9.68 Favored 'General case' 0 C--O 1.212 -0.902 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -178.498 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -104.91 151.1 17.23 Favored Glycine 0 CA--C 1.504 -0.629 0 N-CA-C 108.815 -1.714 . . . . 25.0 108.815 179.165 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -69.47 128.21 35.73 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 108.372 -0.973 . . . . 25.0 108.372 176.857 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 85.6 mt -82.46 117.64 28.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 105.671 -1.974 . . . . 25.0 105.671 175.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 49.2 m -139.77 149.11 43.17 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.373 -0.603 . . . . 25.0 109.373 -177.185 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 66.8 m-20 62.58 178.2 0.14 Allowed 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.417 1.087 . . . . 25.0 112.385 -179.275 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.207 -1.168 0 CA-C-O 124.288 1.994 . . . . 25.0 113.071 -179.432 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 123.129 1.443 . . . . 25.0 114.055 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 17.8 tt -75.54 144.59 11.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.561 0 CA-C-N 113.936 -1.484 . . . . 25.0 110.493 -179.063 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 30.4 mp0 -70.45 169.27 14.41 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.567 0.699 . . . . 25.0 111.034 178.126 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -139.92 -176.47 15.01 Favored Glycine 0 C--O 1.226 -0.358 0 N-CA-C 110.606 -0.998 . . . . 25.0 110.606 178.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.8 mtt-85 56.19 27.17 11.23 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.67 0.989 . . . . 25.0 113.67 -178.751 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -85.34 150.61 24.63 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 107.179 -1.415 . . . . 25.0 107.179 170.865 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.9 ptt? -139.04 151.56 46.88 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 105.495 -2.039 . . . . 25.0 105.495 172.386 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -99.29 116.08 30.65 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.702 -0.851 . . . . 25.0 108.702 -177.242 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.7 mt -107.0 129.42 54.8 Favored 'General case' 0 CA--C 1.499 -0.996 0 N-CA-C 107.814 -1.18 . . . . 25.0 107.814 176.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 30.8 m -95.57 134.1 38.83 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 107.711 -1.218 . . . . 25.0 107.711 179.676 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.2 mm -107.56 139.23 30.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 N-CA-C 106.729 -1.582 . . . . 25.0 106.729 -178.239 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 66.1 m -140.8 137.71 33.53 Favored 'General case' 0 C--N 1.321 -0.666 0 O-C-N 121.584 -0.697 . . . . 25.0 110.49 177.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.46 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -91.78 101.19 13.79 Favored 'General case' 0 C--O 1.215 -0.762 0 CA-C-O 121.443 0.64 . . . . 25.0 110.702 -177.259 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -62.0 -21.63 65.01 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.27 -0.877 . . . . 25.0 110.574 178.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 40.9 mt -74.51 -31.98 62.35 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.707 1.002 . . . . 25.0 113.707 -179.52 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.0 p -120.86 -17.9 7.77 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 112.462 0.542 . . . . 25.0 112.462 -171.264 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.52 -1.32 88.36 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 116.016 -0.538 . . . . 25.0 112.135 -175.747 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -79.55 153.91 29.18 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.189 0.519 . . . . 25.0 111.836 -178.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 37.7 mm -113.31 130.16 67.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 108.232 -1.025 . . . . 25.0 108.232 -179.444 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -101.92 176.89 5.06 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.29 146.04 43.6 Favored Glycine 0 CA--C 1.496 -1.126 0 N-CA-C 118.801 2.28 . . . . 25.0 118.801 -170.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -72.99 120.7 6.78 Favored 'Trans proline' 0 CA--C 1.502 -1.097 1 C-N-CA 111.457 -5.229 . . . . 25.0 108.775 159.981 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 23.1 pt -105.71 141.29 21.36 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.541 0 CA-C-N 111.887 -2.415 . . . . 25.0 111.289 -176.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -87.08 106.36 17.81 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.622 -1.172 . . . . 25.0 108.201 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.4 m -122.64 165.35 18.74 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.802 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 179.527 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 28.6 m -102.53 152.24 21.38 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.423 0.63 . . . . 25.0 112.187 -177.43 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.7 -30.24 63.25 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 115.264 -0.88 . . . . 25.0 112.381 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -106.2 12.97 29.51 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 123.023 0.529 . . . . 25.0 111.898 -173.106 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.9 ttt -68.48 143.17 55.09 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 105.412 -2.07 . . . . 25.0 105.412 172.317 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.17 155.55 34.46 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 179.245 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -57.99 -41.33 82.8 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 175.25 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.4 p -66.84 -31.29 71.8 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.457 -0.497 . . . . 25.0 111.334 -178.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -75.98 -36.09 59.37 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.599 -0.519 . . . . 25.0 109.599 -176.643 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.0 tp -59.15 -45.68 90.34 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.156 -1.053 . . . . 25.0 108.156 173.984 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.5 mt -66.55 -32.66 59.07 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 122.279 -0.263 . . . . 25.0 110.633 179.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.94 -39.71 82.43 Favored 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 120.574 -0.451 . . . . 25.0 110.161 175.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.1 tp -69.41 -41.0 76.96 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.238 -0.282 . . . . 25.0 110.238 175.716 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 84.1 mt -64.32 -31.28 72.43 Favored 'General case' 0 C--O 1.219 -0.552 0 O-C-N 122.043 -0.411 . . . . 25.0 111.919 179.286 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -65.76 -37.25 85.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 121.967 -0.458 . . . . 25.0 110.57 175.569 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.81 -44.21 23.63 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.938 0.718 . . . . 25.0 112.938 -177.66 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -92.32 -57.96 2.53 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.072 0.767 . . . . 25.0 113.072 -175.284 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 59.4 m -82.15 -6.84 59.49 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 113.191 0.811 . . . . 25.0 113.191 -175.041 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.61 24.73 72.66 Favored Glycine 0 CA--C 1.518 0.257 0 N-CA-C 111.67 -0.572 . . . . 25.0 111.67 -177.578 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -79.31 104.25 9.8 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 121.936 -0.744 . . . . 25.0 110.019 -175.808 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -89.17 113.22 24.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.658 -1.238 . . . . 25.0 107.658 174.889 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.3 ptpt -59.63 -8.84 2.17 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 115.175 1.546 . . . . 25.0 115.175 -179.55 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 71.7 p -97.3 -18.66 19.04 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 112.817 0.673 . . . . 25.0 112.817 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -107.23 -25.54 11.46 Favored 'General case' 0 CA--C 1.505 -0.76 0 N-CA-C 108.556 -0.905 . . . . 25.0 108.556 -178.53 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 25.9 m170 -129.25 160.61 32.42 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 114.338 -1.301 . . . . 25.0 110.392 -172.257 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -128.88 151.54 49.51 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 122.98 0.512 . . . . 25.0 109.715 -177.213 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 37.3 tp -106.98 129.94 54.71 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.813 -0.81 . . . . 25.0 108.813 -177.483 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -116.87 141.79 47.77 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.112 0.482 . . . . 25.0 111.376 -177.232 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -144.34 136.5 26.35 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.897 -1.52 . . . . 25.0 106.897 173.781 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.2 t30 53.2 34.86 18.49 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.704 0.764 . . . . 25.0 110.841 -177.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.7 mtp 61.22 15.25 6.22 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 115.219 1.563 . . . . 25.0 115.219 -178.758 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -116.18 164.06 15.04 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.458 -1.312 . . . . 25.0 107.458 176.21 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.4 mt -89.1 124.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.572 0.701 . . . . 25.0 111.267 -176.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 92.2 mt -85.43 112.19 20.64 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 105.594 -2.002 . . . . 25.0 105.594 171.009 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -63.32 120.72 12.14 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 106.592 -1.633 . . . . 25.0 106.592 178.608 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m -63.02 -6.96 4.45 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 115.314 1.598 . . . . 25.0 115.314 -173.397 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 -108.79 0.58 20.47 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 113.63 0.974 . . . . 25.0 113.63 -175.727 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.4 mtt180 -65.84 140.24 58.37 Favored 'General case' 0 C--O 1.216 -0.698 0 N-CA-C 109.42 -0.585 . . . . 25.0 109.42 178.26 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 66.7 p -102.03 27.95 6.18 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.143 0.497 . . . . 25.0 110.862 179.599 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -78.39 167.46 21.29 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.011 -1.107 . . . . 25.0 108.011 177.534 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 16.5 p -94.56 160.52 14.6 Favored 'General case' 0 CA--C 1.505 -0.758 0 N-CA-C 106.674 -1.602 . . . . 25.0 106.674 173.387 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 37.8 mt -59.3 -34.64 72.55 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.396 -0.365 . . . . 25.0 111.93 -176.439 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 52.3 pttt -70.44 -24.05 62.82 Favored 'General case' 0 N--CA 1.426 -1.653 0 N-CA-C 114.317 1.228 . . . . 25.0 114.317 -178.506 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -76.96 -21.5 54.68 Favored 'General case' 0 N--CA 1.47 0.536 0 CA-C-O 121.533 0.682 . . . . 25.0 109.873 176.354 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 46.6 mt -82.46 -8.97 59.61 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.244 -0.889 . . . . 25.0 108.953 176.6 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.04 16.1 63.7 Favored Glycine 0 N--CA 1.454 -0.125 0 CA-C-N 115.31 -0.859 . . . . 25.0 112.914 178.519 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.54 146.29 42.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.323 0.582 . . . . 25.0 112.324 -177.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.448 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 3.5 ptpp? -147.4 173.54 12.53 Favored 'General case' 0 C--O 1.213 -0.822 0 N-CA-C 107.944 -1.132 . . . . 25.0 107.944 -178.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.6 t -68.02 -2.32 7.47 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 115.31 1.596 . . . . 25.0 115.31 -178.194 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.448 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 16.4 t0 -101.73 3.22 39.39 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.652 0.739 . . . . 25.0 109.552 -176.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -95.74 151.76 19.08 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 116.164 1.913 . . . . 25.0 116.164 -175.229 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.3 tt -124.2 134.39 53.3 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 113.627 -1.624 . . . . 25.0 108.287 174.945 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -107.9 142.99 37.14 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.792 -0.818 . . . . 25.0 108.792 -177.313 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 88.1 mt -112.09 140.81 46.46 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.322 0.49 . . . . 25.0 112.322 -178.196 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.46 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 12.2 mm -106.9 119.06 55.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.605 -0.887 . . . . 25.0 108.605 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 16.0 mtt180 -120.61 177.13 5.18 Favored 'General case' 0 C--O 1.212 -0.877 0 N-CA-C 109.12 -0.696 . . . . 25.0 109.12 178.324 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -102.25 152.17 18.41 Favored Glycine 0 N--CA 1.444 -0.793 0 N-CA-C 107.873 -2.091 . . . . 25.0 107.873 178.48 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -68.52 117.46 10.3 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 106.402 -1.703 . . . . 25.0 106.402 174.869 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.44 -37.49 78.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.994 -0.548 . . . . 25.0 109.761 -176.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 6.3 t 53.61 33.77 17.18 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 113.626 0.972 . . . . 25.0 113.626 176.938 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -57.85 -34.55 69.84 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 113.121 0.786 . . . . 25.0 113.121 -178.084 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 57.7 p . . . . . 0 C--O 1.207 -1.155 0 CA-C-O 123.557 1.646 . . . . 25.0 111.192 179.432 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.484 1.242 0 N-CA-C 114.177 1.177 . . . . 25.0 114.177 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.7 mt 73.92 154.2 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 126.277 1.831 . . . . 25.0 108.752 -179.89 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 55.2 mm-40 42.06 -99.6 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 117.518 2.414 . . . . 25.0 117.518 -177.187 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.96 -43.02 3.12 Favored Glycine 0 CA--C 1.519 0.325 0 N-CA-C 110.87 -0.892 . . . . 25.0 110.87 -173.484 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -60.89 -33.42 73.09 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 109.398 -0.593 . . . . 25.0 109.398 175.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -125.3 140.37 52.88 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 105.749 -1.945 . . . . 25.0 105.749 170.422 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -141.2 148.44 39.95 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 106.265 -1.754 . . . . 25.0 106.265 -177.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -108.93 122.67 47.72 Favored 'General case' 0 C--N 1.317 -0.812 0 N-CA-C 109.19 -0.67 . . . . 25.0 109.19 -172.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 5.7 mp -109.9 139.02 45.46 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.124 -1.065 . . . . 25.0 108.124 179.504 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -103.79 142.21 34.77 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 107.738 -1.208 . . . . 25.0 107.738 177.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 26.4 mm -114.35 132.94 61.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.758 -0.83 . . . . 25.0 108.758 -175.755 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 32.3 t -117.78 119.13 33.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.357 0.599 . . . . 25.0 110.053 177.803 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -87.42 88.76 7.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.468 -0.938 . . . . 25.0 108.468 179.393 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -62.15 -16.16 50.8 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.778 0.799 . . . . 25.0 111.435 -179.468 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 33.4 mt -75.19 -31.51 60.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 177.668 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.9 p -119.6 -18.45 8.4 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.432 0.531 . . . . 25.0 112.432 -171.218 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.82 10.84 78.22 Favored Glycine 0 CA--C 1.518 0.262 0 N-CA-C 111.84 -0.504 . . . . 25.0 111.84 -178.031 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -96.63 149.25 21.99 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.218 0.532 . . . . 25.0 110.946 -178.779 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.22 123.49 63.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 106.485 -1.672 . . . . 25.0 106.485 176.466 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.34 176.96 6.38 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.254 -0.647 . . . . 25.0 109.254 -179.858 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.54 150.41 51.51 Favored Glycine 0 CA--C 1.495 -1.165 0 N-CA-C 118.315 2.086 . . . . 25.0 118.315 -170.377 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -72.93 117.83 5.3 Favored 'Trans proline' 0 CA--C 1.502 -1.075 1 C-N-CA 111.91 -4.927 . . . . 25.0 109.788 160.003 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.3 pt -102.26 132.22 48.73 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 CA-C-N 111.781 -2.463 . . . . 25.0 111.104 -176.461 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -87.09 105.32 17.09 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 123.059 1.409 . . . . 25.0 110.685 -174.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 30.3 m -120.07 169.48 11.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 114.558 -1.201 . . . . 25.0 109.807 -176.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -111.72 150.5 30.13 Favored 'General case' 0 CA--C 1.506 -0.717 0 O-C-N 122.037 -0.414 . . . . 25.0 110.811 -179.428 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -57.31 -28.1 62.77 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-O 121.584 0.706 . . . . 25.0 112.081 177.616 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -89.6 -4.97 57.59 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.775 0.657 . . . . 25.0 112.775 -174.253 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -66.17 139.85 58.15 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 -178.044 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.39 154.76 30.44 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.047 -1.094 . . . . 25.0 108.047 179.224 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 45.8 tp -60.91 -36.58 79.64 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.677 -0.49 . . . . 25.0 109.677 176.73 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 19.7 p -61.83 -35.21 77.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.465 -0.334 . . . . 25.0 110.582 178.21 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -76.05 -37.74 57.96 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.137 -0.69 . . . . 25.0 109.137 -178.357 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.79 -50.41 73.59 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 108.874 -0.788 . . . . 25.0 108.874 176.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.32 -33.26 61.58 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.675 0 O-C-N 121.908 -0.495 . . . . 25.0 110.394 179.244 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.509 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.14 -42.21 85.39 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.652 -0.655 . . . . 25.0 110.453 176.55 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 tt -67.75 -43.73 79.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.792 0.33 . . . . 25.0 110.158 176.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.64 -32.79 74.6 Favored 'General case' 0 C--O 1.216 -0.691 0 N-CA-C 112.384 0.513 . . . . 25.0 112.384 -177.647 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.509 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.0 mt-30 -65.4 -35.82 82.09 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 122.313 -0.242 . . . . 25.0 110.717 174.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.03 -45.4 20.24 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.172 0.804 . . . . 25.0 113.172 -178.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -94.1 -57.96 2.37 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 113.496 0.925 . . . . 25.0 113.496 -174.16 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 62.4 m -80.46 -6.59 58.36 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 112.523 0.564 . . . . 25.0 112.523 -176.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.67 23.53 70.66 Favored Glycine 0 C--O 1.237 0.304 0 N-CA-C 111.943 -0.463 . . . . 25.0 111.943 -178.295 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 47.0 t80 -77.96 104.11 8.32 Favored 'General case' 0 C--O 1.213 -0.862 0 N-CA-C 107.636 -1.246 . . . . 25.0 107.636 -177.229 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -86.1 110.46 19.55 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 108.858 -0.793 . . . . 25.0 108.858 177.065 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 1.9 pttp -64.66 -8.57 14.96 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 114.02 1.118 . . . . 25.0 114.02 -178.094 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 47.8 p -91.91 -20.96 20.87 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.95 0.722 . . . . 25.0 112.95 176.381 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 56.5 mttp -109.68 -16.6 13.89 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.301 0.572 . . . . 25.0 110.395 -178.878 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -136.1 161.59 35.28 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.31 -0.859 . . . . 25.0 111.421 -172.252 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -126.54 148.61 49.71 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.241 -0.89 . . . . 25.0 108.841 178.841 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.3 mt -99.13 141.12 32.3 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 107.403 -1.332 . . . . 25.0 107.403 178.373 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -122.38 136.72 54.95 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-O 121.248 0.547 . . . . 25.0 110.263 178.478 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -144.19 132.54 21.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 106.871 -1.529 . . . . 25.0 106.871 178.281 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 53.84 32.45 15.04 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-O 121.486 0.66 . . . . 25.0 111.422 -178.874 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.2 mtp 64.52 15.59 9.71 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 115.25 1.574 . . . . 25.0 115.25 -178.636 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.8 t0 -115.42 164.6 14.04 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 174.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.9 mt -90.15 127.02 42.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 N-CA-C 109.386 -0.598 . . . . 25.0 109.386 -178.473 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 84.9 mt -79.54 104.04 9.86 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 106.826 -1.546 . . . . 25.0 106.826 173.64 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -62.83 112.77 2.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.836 0.827 . . . . 25.0 108.932 179.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 80.8 p -62.61 -7.01 4.01 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 115.236 1.569 . . . . 25.0 115.236 -175.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -96.53 -2.54 44.89 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 111.988 0.366 . . . . 25.0 111.988 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 85.9 mtt180 -81.41 146.82 30.1 Favored 'General case' 0 N--CA 1.468 0.47 0 N-CA-C 109.081 -0.711 . . . . 25.0 109.081 177.047 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.9 t -116.82 28.1 8.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.382 0.611 . . . . 25.0 109.916 179.369 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -72.03 165.15 24.84 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.164 -1.05 . . . . 25.0 108.164 178.115 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.5 m -94.46 159.42 15.11 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.18 -1.415 . . . . 25.0 107.18 178.465 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 35.6 mt -59.77 -31.98 70.17 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.063 0.458 . . . . 25.0 111.916 -176.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -66.19 -25.32 66.87 Favored 'General case' 0 N--CA 1.431 -1.425 0 N-CA-C 113.893 1.072 . . . . 25.0 113.893 178.022 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -76.93 -28.28 55.19 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.403 0.621 . . . . 25.0 109.387 177.248 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.2 mt -81.25 -12.37 59.13 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 107.844 -1.169 . . . . 25.0 107.844 -179.077 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 78.33 21.87 69.05 Favored Glycine 0 CA--C 1.506 -0.484 0 CA-C-N 115.108 -0.951 . . . . 25.0 112.387 173.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.7 pp -95.17 153.42 17.67 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.637 0.606 . . . . 25.0 112.637 -178.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -143.43 -175.51 4.58 Favored 'General case' 0 C--O 1.216 -0.699 0 C-N-CA 123.991 0.916 . . . . 25.0 110.577 -168.695 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.4 t -67.49 -5.15 13.73 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 115.0 1.481 . . . . 25.0 115.0 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -100.06 3.07 43.86 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.519 0.676 . . . . 25.0 109.721 -176.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -96.85 156.98 16.11 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 115.34 1.607 . . . . 25.0 115.34 -176.528 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -134.51 134.09 41.07 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 113.858 -1.519 . . . . 25.0 107.107 178.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -108.28 143.75 36.7 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.546 -0.539 . . . . 25.0 109.546 -173.544 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 58.0 mt -110.32 142.05 42.5 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.794 -0.185 . . . . 25.0 111.045 -177.173 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 13.0 mm -108.75 120.93 61.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 N-CA-C 109.301 -0.629 . . . . 25.0 109.301 179.403 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -119.86 148.86 42.97 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -179.477 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -90.48 144.89 17.7 Favored Glycine 0 N--CA 1.441 -0.99 0 N-CA-C 107.696 -2.162 . . . . 25.0 107.696 176.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.79 -30.46 66.94 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 121.81 0.814 . . . . 25.0 108.844 177.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.7 mp -85.46 79.41 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 106.79 -1.559 . . . . 25.0 106.79 177.087 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 54.7 m -157.75 165.26 35.82 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.195 -1.039 . . . . 25.0 108.195 -177.789 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -78.79 152.43 31.41 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.502 0.668 . . . . 25.0 109.211 175.479 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 47.9 t . . . . . 0 C--O 1.216 -0.709 0 CA-C-O 124.505 2.097 . . . . 25.0 110.031 172.522 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 58.1 m170 . . . . . 0 N--CA 1.504 2.241 0 CA-C-O 124.233 1.968 . . . . 25.0 113.567 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 40.4 pt -82.6 149.34 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 114.075 -1.42 . . . . 25.0 108.283 175.39 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -67.31 136.49 54.94 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.258 -1.386 . . . . 25.0 107.258 177.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 169.7 -150.14 14.5 Favored Glycine 0 C--O 1.222 -0.604 0 C-N-CA 120.188 -1.006 . . . . 25.0 112.202 -175.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 72.3 mtp85 -70.4 -6.15 33.45 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.615 0.598 . . . . 25.0 112.615 -179.322 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 35.5 m170 -117.63 151.85 36.38 Favored 'General case' 0 CA--C 1.504 -0.813 0 N-CA-C 107.357 -1.349 . . . . 25.0 107.357 175.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -135.51 150.95 49.91 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 114.722 -1.126 . . . . 25.0 107.975 176.756 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -99.83 114.62 27.92 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.737 -1.209 . . . . 25.0 107.737 179.78 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.7 mt -106.59 131.33 53.87 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.125 -1.065 . . . . 25.0 108.125 179.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.6 m -99.97 130.37 46.13 Favored 'General case' 0 CA--C 1.508 -0.635 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 -177.62 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.418 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.8 mm -108.02 136.68 42.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 N-CA-C 107.838 -1.171 . . . . 25.0 107.838 -175.446 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.2 t -139.9 141.55 36.54 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.314 0.578 . . . . 25.0 110.736 177.544 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -92.38 115.85 28.46 Favored 'General case' 0 N--CA 1.44 -0.972 0 N-CA-C 114.296 1.221 . . . . 25.0 114.296 -177.593 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.05 -19.46 61.18 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.492 -0.322 . . . . 25.0 111.368 179.721 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.19 -40.11 20.11 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 113.605 0.965 . . . . 25.0 113.605 179.958 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 59.8 p -108.76 -15.54 14.38 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.832 0.679 . . . . 25.0 112.832 -172.238 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.95 84.57 Favored Glycine 0 C--N 1.328 0.125 0 CA-C-N 116.468 -0.333 . . . . 25.0 113.107 -176.151 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 32.4 mm-40 -70.96 152.92 43.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 113.587 0.958 . . . . 25.0 113.587 -176.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.4 mm -111.98 127.66 69.03 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.503 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 178.796 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.418 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 37.0 m-85 -103.01 173.49 6.28 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 106.944 -1.502 . . . . 25.0 106.944 178.578 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -71.0 152.76 50.57 Favored Glycine 0 CA--C 1.501 -0.842 0 N-CA-C 117.152 1.621 . . . . 25.0 117.152 -171.205 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -71.63 121.17 7.45 Favored 'Trans proline' 0 N--CA 1.455 -0.772 1 C-N-CA 113.041 -4.172 . . . . 25.0 109.467 160.44 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 25.5 pt -104.61 134.11 46.88 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.152 0 CA-C-N 113.171 -1.831 . . . . 25.0 110.778 -175.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -84.32 107.01 16.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.142 -0.936 . . . . 25.0 109.902 -178.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.0 m -123.64 167.33 17.55 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.04 0 N-CA-C 107.702 -1.222 . . . . 25.0 107.702 178.31 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -96.68 151.1 19.95 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 120.768 -0.373 . . . . 25.0 110.545 -177.954 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -64.96 -30.49 71.49 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.549 0.69 . . . . 25.0 110.82 177.019 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -87.49 6.19 35.36 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 25.0 111.502 -178.115 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 9.0 ttt -72.7 143.14 48.17 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 107.024 -1.473 . . . . 25.0 107.024 178.846 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.68 155.09 36.06 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.931 -0.766 . . . . 25.0 108.931 179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -57.13 -42.41 80.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.384 0.612 . . . . 25.0 109.375 176.046 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 7.7 p -67.98 -29.87 69.0 Favored 'General case' 0 C--O 1.215 -0.754 0 O-C-N 121.845 -0.534 . . . . 25.0 111.786 -178.171 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -76.68 -33.74 58.24 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 109.6 -0.518 . . . . 25.0 109.6 -179.093 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 64.7 tp -60.67 -45.19 95.07 Favored 'General case' 0 CA--C 1.517 -0.289 0 N-CA-C 108.144 -1.058 . . . . 25.0 108.144 173.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.1 mt -62.79 -37.76 79.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 121.956 -0.465 . . . . 25.0 110.294 178.507 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.67 85.27 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 121.85 -0.531 . . . . 25.0 110.819 178.996 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.2 tp -66.71 -43.45 84.3 Favored 'General case' 0 C--O 1.243 0.73 0 N-CA-C 109.754 -0.461 . . . . 25.0 109.754 176.385 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.0 mt -64.5 -29.24 70.28 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 112.702 0.63 . . . . 25.0 112.702 179.877 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -64.11 -41.38 97.27 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 121.559 -0.713 . . . . 25.0 110.983 174.963 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.02 -46.7 16.13 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 111.921 0.341 . . . . 25.0 111.921 -176.699 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -85.72 -43.15 13.63 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 113.56 0.948 . . . . 25.0 113.56 -173.353 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.0 m -104.48 -4.51 22.62 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 113.604 0.964 . . . . 25.0 113.604 -174.68 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.86 21.44 75.14 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 121.238 -0.506 . . . . 25.0 113.684 -179.155 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -67.38 140.76 57.21 Favored 'General case' 0 C--O 1.212 -0.871 0 CA-C-N 117.547 0.673 . . . . 25.0 110.624 -178.74 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -132.08 111.88 11.86 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.311 -0.625 . . . . 25.0 109.311 176.755 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -63.39 -11.17 20.79 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 114.784 1.402 . . . . 25.0 114.784 -177.214 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 66.5 p -90.46 -21.11 22.04 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 112.665 0.617 . . . . 25.0 112.665 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 78.2 mttt -115.51 -14.84 11.52 Favored 'General case' 0 N--CA 1.475 0.817 0 CA-C-O 121.195 0.522 . . . . 25.0 110.354 -176.072 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.3 m80 -134.16 163.12 30.31 Favored 'General case' 0 C--N 1.318 -0.8 0 CA-C-N 115.713 -0.676 . . . . 25.0 110.671 -175.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -120.4 150.05 41.39 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 107.223 -1.399 . . . . 25.0 107.223 174.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.65 132.31 54.26 Favored 'General case' 0 C--O 1.219 -0.546 0 N-CA-C 106.369 -1.715 . . . . 25.0 106.369 178.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -114.97 140.31 49.12 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.165 0.507 . . . . 25.0 111.209 -179.458 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 27.4 t80 -141.54 137.86 32.3 Favored 'General case' 0 CA--C 1.505 -0.752 0 N-CA-C 105.388 -2.078 . . . . 25.0 105.388 172.648 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 55.5 29.01 12.57 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.49 0.662 . . . . 25.0 110.139 -178.916 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 45.8 mtp 64.45 13.95 8.49 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 114.996 1.48 . . . . 25.0 114.996 -179.809 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -115.95 165.98 12.49 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 173.041 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.6 mt -87.64 128.4 40.16 Favored 'Isoleucine or valine' 0 C--O 1.239 0.51 0 CA-C-O 121.355 0.598 . . . . 25.0 111.639 -175.187 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 93.1 mt -83.16 116.95 22.58 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.329 -0.989 . . . . 25.0 108.329 175.403 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -65.78 120.15 12.5 Favored 'General case' 0 N--CA 1.449 -0.506 0 N-CA-C 107.797 -1.186 . . . . 25.0 107.797 175.328 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 13.4 m -69.01 -6.11 25.86 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 114.06 1.133 . . . . 25.0 114.06 -175.099 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -97.17 -1.21 45.51 Favored 'General case' 0 CA--C 1.546 0.815 0 N-CA-C 112.436 0.532 . . . . 25.0 112.436 178.657 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -67.26 136.75 55.42 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 121.605 -0.685 . . . . 25.0 110.489 179.301 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 49.1 p -105.95 16.76 24.64 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.106 -0.497 . . . . 25.0 111.883 179.28 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -76.41 165.57 24.65 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -179.484 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 33.5 m -91.35 158.31 16.62 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 106.171 -1.788 . . . . 25.0 106.171 177.398 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 84.2 mt -61.54 -32.09 72.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.149 0.5 . . . . 25.0 111.599 -178.904 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -58.56 -36.23 73.61 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 123.801 0.84 . . . . 25.0 112.278 176.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -78.83 -20.18 50.27 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.789 -0.641 . . . . 25.0 110.471 -177.028 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 72.9 mt -85.13 -10.57 56.6 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.865 0.84 . . . . 25.0 109.515 178.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 81.13 12.56 82.25 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 114.65 -1.159 . . . . 25.0 114.206 174.686 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.13 162.62 18.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.978 0.389 . . . . 25.0 110.051 -178.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -156.86 176.06 13.25 Favored 'General case' 0 C--O 1.203 -1.363 0 N-CA-C 113.579 0.955 . . . . 25.0 113.579 -167.834 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.0 t -64.27 4.3 0.36 Allowed 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 117.392 2.367 . . . . 25.0 117.392 -178.629 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -125.05 16.67 8.5 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.868 -1.16 . . . . 25.0 107.868 -176.252 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -97.95 -178.84 4.21 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 116.191 1.922 . . . . 25.0 116.191 -176.472 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 52.6 tp -141.96 132.12 24.78 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 108.424 -0.954 . . . . 25.0 108.424 179.473 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -112.63 139.3 48.34 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.755 -1.202 . . . . 25.0 107.755 178.227 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.7 mt -116.16 139.23 50.55 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 123.315 0.384 . . . . 25.0 110.358 179.695 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 33.8 mm -105.66 117.58 51.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 178.317 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -116.02 159.71 21.28 Favored 'General case' 0 C--O 1.209 -1.037 0 N-CA-C 109.032 -0.729 . . . . 25.0 109.032 -179.364 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.7 148.16 16.42 Favored Glycine 0 CA--C 1.503 -0.711 0 N-CA-C 110.095 -1.202 . . . . 25.0 110.095 178.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.9 pttt -129.62 163.42 26.09 Favored 'General case' 0 C--N 1.316 -0.873 0 C-N-CA 122.96 0.504 . . . . 25.0 111.79 177.503 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 47.5 mm -103.09 112.16 35.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 106.522 -1.658 . . . . 25.0 106.522 175.42 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 22.8 p -109.15 6.23 24.64 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.213 0.53 . . . . 25.0 110.337 -179.905 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -81.63 77.3 8.5 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.853 0.835 . . . . 25.0 110.179 179.27 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 6.3 m . . . . . 0 C--O 1.21 -1.0 0 CA-C-O 124.777 2.227 . . . . 25.0 112.984 -177.418 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.3 m80 . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.251 0.548 . . . . 25.0 111.875 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 43.1 pt -87.62 158.07 3.13 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 N-CA-C 106.254 -1.758 . . . . 25.0 106.254 177.05 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -72.71 -35.48 67.6 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.851 0.834 . . . . 25.0 110.254 -177.947 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 74.76 -161.16 53.35 Favored Glycine 0 C--O 1.221 -0.683 0 CA-C-N 115.231 -0.895 . . . . 25.0 111.83 -178.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -137.41 -4.43 1.86 Allowed 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 112.818 0.673 . . . . 25.0 112.818 178.028 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -128.15 147.49 50.56 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 103.22 -2.882 . . . . 25.0 103.22 -177.833 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.9 ptt? -139.86 152.45 46.47 Favored 'General case' 0 N--CA 1.44 -0.963 0 N-CA-C 106.31 -1.737 . . . . 25.0 106.31 -179.594 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -102.83 124.93 49.27 Favored 'General case' 0 CA--C 1.506 -0.746 0 O-C-N 124.72 1.262 . . . . 25.0 107.982 -175.125 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.4 mt -117.06 124.31 48.96 Favored 'General case' 0 CA--C 1.511 -0.541 0 N-CA-C 108.683 -0.858 . . . . 25.0 108.683 177.183 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.4 m -87.84 134.74 33.63 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 106.448 -1.686 . . . . 25.0 106.448 177.915 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.8 mm -112.46 134.23 55.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 107.293 -1.373 . . . . 25.0 107.293 -176.853 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.7 m -139.36 139.34 37.19 Favored 'General case' 0 CA--C 1.512 -0.512 0 CA-C-O 121.714 0.769 . . . . 25.0 111.525 179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -88.94 119.34 29.37 Favored 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 113.199 0.815 . . . . 25.0 113.199 -178.447 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.88 -18.37 61.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -179.296 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 83.5 mt -93.61 -39.18 10.96 Favored 'General case' 0 CA--C 1.511 -0.544 0 N-CA-C 114.385 1.254 . . . . 25.0 114.385 -177.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 66.3 p -106.63 -12.39 15.58 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 112.979 0.733 . . . . 25.0 112.979 -171.707 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 77.78 5.89 86.73 Favored Glycine 0 CA--C 1.53 0.972 0 CA-C-N 115.619 -0.718 . . . . 25.0 112.015 -178.157 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -68.04 150.27 48.64 Favored 'General case' 0 C--O 1.252 1.209 0 N-CA-C 113.7 1.0 . . . . 25.0 113.7 -179.539 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -121.02 122.5 67.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 179.256 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -105.16 170.6 7.78 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 106.876 -1.527 . . . . 25.0 106.876 177.647 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.75 162.39 51.9 Favored Glycine 0 CA--C 1.489 -1.578 0 CA-C-O 119.392 -0.671 . . . . 25.0 114.583 -168.734 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -68.92 119.33 6.33 Favored 'Trans proline' 0 C--O 1.247 0.959 1 C-N-CA 113.002 -4.199 . . . . 25.0 109.867 163.369 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.2 pt -95.62 129.2 46.05 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.418 0 CA-C-N 114.269 -1.332 . . . . 25.0 109.176 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 -83.86 103.21 12.94 Favored 'General case' 0 C--O 1.244 0.79 0 CA-C-N 114.499 -1.228 . . . . 25.0 108.936 -176.626 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.54 171.93 11.73 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 108.045 -1.095 . . . . 25.0 108.045 -177.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 16.5 m -102.74 155.52 18.26 Favored 'General case' 0 C--O 1.214 -0.779 0 CA-C-N 119.617 1.098 . . . . 25.0 112.237 -179.292 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.67 -27.8 67.16 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 122.739 1.257 . . . . 25.0 108.1 174.984 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -86.0 0.53 53.07 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.092 -1.413 . . . . 25.0 110.887 -175.342 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 13.2 ttt -76.89 144.25 39.07 Favored 'General case' 0 C--O 1.222 -0.39 0 N-CA-C 107.146 -1.428 . . . . 25.0 107.146 -178.524 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.42 152.98 36.04 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.065 -1.087 . . . . 25.0 108.065 179.05 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -58.91 -39.24 80.92 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.58 -1.267 . . . . 25.0 107.58 175.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -67.57 -31.46 71.54 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 121.693 -0.629 . . . . 25.0 111.616 -178.885 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -75.49 -34.41 60.85 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 109.075 -0.713 . . . . 25.0 109.075 179.5 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.38 -46.0 91.53 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 108.461 -0.94 . . . . 25.0 108.461 174.458 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . 0.465 HG22 HE21 ' A' ' 133' ' ' GLN . 99.4 mt -62.02 -38.05 79.85 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.787 0 N-CA-C 109.512 -0.551 . . . . 25.0 109.512 178.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.39 -39.85 88.76 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 121.698 -0.626 . . . . 25.0 110.884 177.61 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 42.6 tp -67.83 -38.27 82.98 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.83 -0.348 . . . . 25.0 110.547 175.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.0 -29.03 69.92 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 120.76 -0.376 . . . . 25.0 111.608 177.801 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.465 HE21 HG22 ' A' ' 129' ' ' ILE . 74.8 mt-30 -69.01 -40.08 78.91 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 121.814 -0.554 . . . . 25.0 111.09 174.129 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.99 -42.06 58.29 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.044 0.757 . . . . 25.0 113.044 -177.332 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -93.65 -56.33 2.94 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 112.974 0.731 . . . . 25.0 112.974 -174.562 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 70.2 m -89.22 -3.45 58.56 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 114.053 1.131 . . . . 25.0 114.053 -175.134 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.43 24.5 70.86 Favored Glycine 0 N--CA 1.463 0.492 0 C-N-CA 121.413 -0.422 . . . . 25.0 112.365 -178.787 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -67.42 144.17 55.89 Favored 'General case' 0 C--O 1.212 -0.887 0 O-C-N 121.651 -0.911 . . . . 25.0 110.007 -177.101 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -138.75 117.05 11.9 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.362 -0.977 . . . . 25.0 108.362 177.316 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 21.3 pttp -63.47 -6.82 5.5 Favored 'General case' 0 C--O 1.239 0.514 0 N-CA-C 114.583 1.327 . . . . 25.0 114.583 -176.672 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.6 p -88.84 -30.13 19.18 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 121.388 -0.82 . . . . 25.0 111.767 179.644 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -110.35 -24.23 10.75 Favored 'General case' 0 C--O 1.218 -0.567 0 O-C-N 123.761 0.663 . . . . 25.0 110.326 -175.265 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.91 158.74 35.97 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.103 -0.499 . . . . 25.0 109.748 -178.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -124.85 156.17 38.29 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 106.242 -1.762 . . . . 25.0 106.242 179.052 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -106.47 129.9 54.36 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 107.508 -1.293 . . . . 25.0 107.508 179.913 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -115.14 137.11 52.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.18 0.514 . . . . 25.0 110.793 -177.428 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -136.3 132.7 36.05 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 107.509 -1.293 . . . . 25.0 107.509 174.655 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 51.64 36.38 17.24 Favored 'General case' 0 C--O 1.212 -0.88 0 C-N-CA 123.753 0.821 . . . . 25.0 109.877 -177.033 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.0 mtp 66.11 14.57 9.7 Favored 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.867 1.803 . . . . 25.0 115.867 178.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -116.9 159.24 22.72 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.25 -1.019 . . . . 25.0 108.25 176.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 79.3 mt -84.03 126.11 40.2 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-O 121.136 0.493 . . . . 25.0 110.797 -176.216 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.7 mt -88.63 113.72 24.5 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.397 -0.594 . . . . 25.0 109.397 173.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -66.06 124.0 21.38 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 178.857 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 69.7 p -67.36 -9.8 44.8 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.633 0.605 . . . . 25.0 112.633 -177.2 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -88.31 -0.24 56.93 Favored 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.614 0.598 . . . . 25.0 112.614 178.717 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -83.08 102.37 11.76 Favored 'General case' 0 N--CA 1.483 1.22 0 O-C-N 121.596 -0.69 . . . . 25.0 111.487 -179.79 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -76.77 31.22 0.13 Allowed 'General case' 0 C--N 1.316 -0.861 0 N-CA-C 114.647 1.351 . . . . 25.0 114.647 177.687 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -81.79 168.08 18.39 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 107.852 -1.166 . . . . 25.0 107.852 -179.206 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 40.1 m -90.95 157.91 17.03 Favored 'General case' 0 C--O 1.222 -0.386 0 N-CA-C 107.918 -1.142 . . . . 25.0 107.918 175.656 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.6 mt -62.08 -31.78 72.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.023 0.439 . . . . 25.0 109.828 -179.75 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -57.11 -37.93 72.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.0 -1.0 . . . . 25.0 112.389 174.241 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -80.25 -17.36 52.45 Favored 'General case' 0 C--O 1.215 -0.737 0 CA-C-N 116.257 -0.429 . . . . 25.0 111.009 -176.758 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.15 -16.36 40.69 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 108.083 -1.08 . . . . 25.0 108.083 176.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.97 19.39 61.28 Favored Glycine 0 C--O 1.224 -0.485 0 CA-C-N 115.915 -0.584 . . . . 25.0 113.93 175.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.1 pp -99.01 147.24 25.22 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 117.372 0.586 . . . . 25.0 112.398 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.574 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.7 ptpt -134.93 -175.28 3.85 Favored 'General case' 0 C--O 1.211 -0.945 0 N-CA-C 113.042 0.756 . . . . 25.0 113.042 -169.417 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -65.74 0.98 1.45 Allowed 'General case' 0 N--CA 1.488 1.428 0 N-CA-C 115.708 1.744 . . . . 25.0 115.708 179.18 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.574 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 7.6 t0 -110.82 4.85 20.19 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 107.893 -1.151 . . . . 25.0 107.893 -175.224 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -103.91 152.76 21.58 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 114.843 1.423 . . . . 25.0 114.843 -176.105 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.9 tt -121.72 136.39 54.94 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 114.078 -1.419 . . . . 25.0 108.723 179.128 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -111.88 141.83 45.02 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.519 -0.548 . . . . 25.0 109.519 -176.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 97.9 mt -110.92 141.31 44.51 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.53 117.4 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 N-CA-C 106.135 -1.802 . . . . 25.0 106.135 179.065 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 40.6 ttt-85 -129.1 160.38 33.01 Favored 'General case' 0 C--O 1.206 -1.234 0 N-CA-C 108.742 -0.836 . . . . 25.0 108.742 -176.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -77.74 144.95 29.54 Favored Glycine 0 CA--C 1.507 -0.468 0 N-CA-C 110.507 -1.037 . . . . 25.0 110.507 177.854 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt -69.22 144.38 53.71 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 107.177 -1.416 . . . . 25.0 107.177 175.518 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 5.0 mp -83.04 90.35 2.35 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.86 0 N-CA-C 106.522 -1.659 . . . . 25.0 106.522 177.847 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 20.7 m -143.83 42.65 1.46 Allowed 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 122.75 0.42 . . . . 25.0 110.935 -174.572 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -91.72 126.9 36.97 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.737 0.643 . . . . 25.0 112.737 -177.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.0 t . . . . . 0 N--CA 1.485 1.29 0 C-N-CA 125.53 1.532 . . . . 25.0 114.63 175.738 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 6.1 t60 . . . . . 0 N--CA 1.493 1.708 0 CA-C-O 124.317 2.008 . . . . 25.0 114.577 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 46.8 mm -121.46 124.96 72.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.247 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -179.105 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -75.91 161.49 28.91 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.648 0.737 . . . . 25.0 110.321 179.066 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 154.47 33.74 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.384 0 N-CA-C 110.405 -1.078 . . . . 25.0 110.405 -178.384 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 54.62 33.93 20.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.399 0.68 . . . . 25.0 112.249 -177.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.0 145.8 26.68 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.347 -0.612 . . . . 25.0 109.347 -178.938 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.6 ptt? -140.81 147.03 38.41 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 107.807 -1.183 . . . . 25.0 107.807 176.636 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -102.83 111.94 24.5 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.693 -0.854 . . . . 25.0 108.693 -174.81 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.9 mp -112.11 131.3 55.52 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 109.167 -0.679 . . . . 25.0 109.167 -177.106 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.6 m -97.28 136.91 37.08 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.149 -0.932 . . . . 25.0 109.931 -174.689 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 8.2 mm -115.68 126.33 73.17 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.479 0 N-CA-C 109.646 -0.501 . . . . 25.0 109.646 -174.983 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 68.7 m -125.96 133.03 51.95 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 112.875 0.695 . . . . 25.0 112.875 179.58 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -85.27 109.99 18.74 Favored 'General case' 0 N--CA 1.437 -1.093 0 N-CA-C 113.215 0.82 . . . . 25.0 113.215 178.911 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -71.55 -18.25 62.27 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.951 -0.568 . . . . 25.0 111.013 -179.601 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 92.8 mt -87.01 -41.57 13.77 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 113.457 0.91 . . . . 25.0 113.457 -178.447 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 38.8 p -104.87 -16.29 14.92 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.626 0.602 . . . . 25.0 112.626 -172.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.29 -5.04 84.58 Favored Glycine 0 C--O 1.228 -0.28 0 CA-C-N 116.304 -0.407 . . . . 25.0 112.48 -177.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -74.9 154.93 37.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.348 0.594 . . . . 25.0 111.329 -178.631 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 76.6 mt -129.22 129.72 67.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 107.917 -1.142 . . . . 25.0 107.917 -179.436 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.448 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 76.5 m-85 -100.51 176.97 5.16 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 -178.887 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.68 153.93 51.9 Favored Glycine 0 CA--C 1.494 -1.253 0 N-CA-C 117.502 1.761 . . . . 25.0 117.502 -172.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_exo -69.19 116.21 4.39 Favored 'Trans proline' 0 N--CA 1.454 -0.824 1 C-N-CA 111.597 -5.135 . . . . 25.0 107.269 159.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.3 pt -96.62 136.91 25.89 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.338 0 CA-C-N 114.441 -1.254 . . . . 25.0 108.646 -176.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.98 105.12 16.91 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 122.68 1.229 . . . . 25.0 109.301 -175.302 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 20.3 m -120.64 164.98 16.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 114.581 -1.19 . . . . 25.0 108.612 -176.826 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 19.2 m -103.62 151.14 23.29 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-O 121.244 0.545 . . . . 25.0 112.026 -177.076 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -60.44 -26.84 67.04 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.392 -0.822 . . . . 25.0 111.741 178.869 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -94.95 1.25 55.22 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.209 -0.905 . . . . 25.0 111.619 -173.459 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -70.35 143.11 52.06 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 106.632 -1.618 . . . . 25.0 106.632 178.186 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.06 155.66 32.32 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 178.725 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -57.98 -41.45 83.0 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.945 -0.761 . . . . 25.0 108.945 174.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 27.6 p -66.2 -31.61 72.55 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.922 -0.581 . . . . 25.0 111.02 -178.39 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -75.98 -35.63 59.54 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.372 -0.603 . . . . 25.0 109.372 -177.216 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 62.7 tp -59.93 -46.1 90.47 Favored 'General case' 0 C--O 1.22 -0.477 0 N-CA-C 108.654 -0.869 . . . . 25.0 108.654 174.514 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.0 mt -66.86 -33.17 61.66 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.581 0 O-C-N 121.881 -0.512 . . . . 25.0 110.047 179.041 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.431 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.77 -41.94 87.76 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.683 -0.636 . . . . 25.0 110.253 176.251 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.2 tt -67.59 -44.35 78.34 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 176.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.2 mt -63.92 -34.42 77.92 Favored 'General case' 0 C--O 1.215 -0.728 0 N-CA-C 112.227 0.454 . . . . 25.0 112.227 -177.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.431 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.7 mt-30 -64.28 -36.74 85.08 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 122.234 -0.291 . . . . 25.0 111.369 174.189 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.83 -45.27 21.22 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.01 0.744 . . . . 25.0 113.01 -177.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -94.43 -57.77 2.4 Favored 'General case' 0 N--CA 1.471 0.592 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 -174.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 73.3 m -80.22 -8.35 59.4 Favored 'General case' 0 C--N 1.323 -0.587 0 N-CA-C 112.293 0.479 . . . . 25.0 112.293 -175.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.97 24.15 74.42 Favored Glycine 0 C--O 1.235 0.2 0 C-N-CA 121.413 -0.423 . . . . 25.0 112.217 -177.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 22.7 t80 -76.78 103.9 6.99 Favored 'General case' 0 C--O 1.215 -0.721 0 N-CA-C 108.33 -0.989 . . . . 25.0 108.33 -177.481 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -89.75 103.5 16.14 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 108.782 -0.822 . . . . 25.0 108.782 176.764 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -55.52 -13.26 1.44 Allowed 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 116.11 1.893 . . . . 25.0 116.11 179.565 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 65.6 p -87.66 -25.38 23.55 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.507 -0.746 . . . . 25.0 112.719 177.48 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -108.44 -19.98 13.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-O 121.821 0.819 . . . . 25.0 110.108 -178.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -127.64 161.74 28.16 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.62 -1.173 . . . . 25.0 109.451 -173.522 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -126.67 157.04 40.05 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.1 -0.704 . . . . 25.0 109.1 -178.467 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.72 135.6 52.11 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.723 -0.843 . . . . 25.0 108.723 -179.978 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -122.79 140.33 53.03 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.915 0.388 . . . . 25.0 110.627 -179.986 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -144.37 139.1 28.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 106.073 -1.825 . . . . 25.0 106.073 176.16 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 53.33 31.39 11.79 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-O 121.132 0.492 . . . . 25.0 111.256 -177.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 68.9 mtp 65.45 13.63 8.96 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 115.289 1.589 . . . . 25.0 115.289 -179.195 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -121.75 167.44 12.97 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 107.995 -1.113 . . . . 25.0 107.995 176.123 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 74.1 mt -84.67 130.14 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.309 0.575 . . . . 25.0 112.256 -175.355 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.5 mt -84.24 110.09 18.28 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.051 -1.092 . . . . 25.0 108.051 172.308 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -66.75 117.35 8.76 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.645 -0.707 . . . . 25.0 110.369 178.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 34.3 t -62.92 -13.54 35.79 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 114.379 1.251 . . . . 25.0 114.379 -179.051 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -82.18 -16.96 47.9 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 122.041 -0.412 . . . . 25.0 111.948 -179.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 91.7 mtt-85 -61.94 131.11 48.63 Favored 'General case' 0 C--O 1.217 -0.657 0 N-CA-C 110.104 -0.332 . . . . 25.0 110.104 179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 63.2 p -106.93 26.57 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.576 -0.898 . . . . 25.0 108.576 176.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -79.63 167.9 20.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.273 -0.876 . . . . 25.0 108.888 -178.685 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 57.8 m -90.8 158.12 17.01 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 106.866 -1.531 . . . . 25.0 106.866 177.859 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 31.2 mt -59.41 -32.15 69.92 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.877 0.37 . . . . 25.0 111.505 -178.084 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 47.4 tttt -60.02 -37.98 81.34 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 113.138 0.792 . . . . 25.0 113.138 178.247 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -68.74 -30.69 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.422 0.629 . . . . 25.0 110.711 -178.851 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 50.5 mt -77.9 -11.99 59.94 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.456 -0.793 . . . . 25.0 111.082 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 88.51 12.6 64.55 Favored Glycine 0 CA--C 1.512 -0.123 0 CA-C-N 115.957 -0.565 . . . . 25.0 112.521 178.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.8 mt -67.34 143.71 56.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.124 0.488 . . . . 25.0 110.37 -179.437 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -147.89 163.22 37.46 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 115.532 -0.758 . . . . 25.0 109.211 -174.47 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.8 t -66.35 -0.81 2.86 Favored 'General case' 0 N--CA 1.482 1.163 0 N-CA-C 114.049 1.129 . . . . 25.0 114.049 179.359 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -118.17 22.23 12.3 Favored 'General case' 0 C--N 1.316 -0.881 0 N-CA-C 107.243 -1.391 . . . . 25.0 107.243 -172.593 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -121.79 167.31 13.14 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 116.426 2.01 . . . . 25.0 116.426 177.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 38.6 tp -128.7 135.43 49.22 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 114.614 -1.175 . . . . 25.0 110.062 -175.318 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.51 145.92 32.48 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.058 -0.719 . . . . 25.0 109.058 177.266 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.6 mt -119.02 136.65 54.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.156 -0.475 . . . . 25.0 111.081 179.464 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 38.0 mm -101.63 121.32 52.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 108.023 -1.103 . . . . 25.0 108.023 178.875 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.5 178.02 4.48 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.097 0.559 . . . . 25.0 110.099 -178.144 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -108.07 142.62 15.96 Favored Glycine 0 C--O 1.223 -0.535 0 N-CA-C 109.465 -1.454 . . . . 25.0 109.465 177.612 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -71.79 -28.57 63.71 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-O 122.133 0.968 . . . . 25.0 108.388 175.482 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.1 mm -121.72 138.59 51.51 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 113.816 -1.538 . . . . 25.0 107.424 -177.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 24.8 m -76.72 82.32 3.34 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 108.571 -0.9 . . . . 25.0 108.571 175.262 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 87.2 m-20 -65.75 -24.18 66.9 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.958 0.725 . . . . 25.0 112.958 -174.842 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 59.4 p . . . . . 0 C--O 1.209 -1.061 0 CA-C-O 123.258 1.504 . . . . 25.0 111.434 179.777 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.0 p80 . . . . . 0 N--CA 1.482 1.166 0 CA-C-O 122.62 1.2 . . . . 25.0 113.516 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.2 mm -120.11 88.14 1.2 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.848 0 N-CA-C 107.225 -1.398 . . . . 25.0 107.225 -176.809 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 52.9 mm-40 -98.29 13.24 32.11 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 122.279 1.038 . . . . 25.0 111.111 -174.869 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 67.95 -103.05 0.92 Allowed Glycine 0 C--O 1.218 -0.878 0 CA-C-N 115.524 -0.762 . . . . 25.0 112.61 178.033 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 94.0 mtt180 -83.16 -14.31 53.75 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.908 -0.172 . . . . 25.0 111.09 -179.207 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.528 ' CE1' ' HB3' ' A' ' 118' ' ' GLU . 0.0 OUTLIER -84.51 146.21 27.7 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 107.794 -1.187 . . . . 25.0 107.794 179.958 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.5 ptt? -143.27 155.16 44.42 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 107.547 -1.279 . . . . 25.0 107.547 178.561 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -103.52 126.04 50.43 Favored 'General case' 0 C--N 1.315 -0.925 0 N-CA-C 108.057 -1.09 . . . . 25.0 108.057 -178.261 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 67.3 mt -117.23 127.2 53.86 Favored 'General case' 0 CA--C 1.502 -0.876 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 176.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.2 m -91.24 135.09 34.03 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 106.566 -1.642 . . . . 25.0 106.566 178.206 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mm -111.82 145.88 17.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 N-CA-C 106.407 -1.701 . . . . 25.0 106.407 -178.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 40.0 t -144.44 141.11 29.4 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 122.359 1.076 . . . . 25.0 112.31 173.962 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -90.07 100.96 13.68 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-N 115.012 -0.994 . . . . 25.0 110.003 179.327 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -18.06 58.7 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-O 121.761 0.791 . . . . 25.0 111.524 179.754 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.8 mp -76.15 -34.38 59.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 113.314 0.857 . . . . 25.0 113.314 178.651 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -118.19 -15.95 9.77 Favored 'General case' 0 C--O 1.216 -0.673 0 N-CA-C 112.876 0.695 . . . . 25.0 112.876 -170.087 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.68 -0.18 89.2 Favored Glycine 0 N--CA 1.461 0.316 0 CA-C-N 116.079 -0.51 . . . . 25.0 112.442 -177.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -71.89 146.62 47.75 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 121.572 -0.957 . . . . 25.0 112.604 -177.787 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 46.4 mm -110.33 121.7 63.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 106.78 -1.563 . . . . 25.0 106.78 177.591 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -91.6 175.65 6.83 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.266 -0.642 . . . . 25.0 109.266 178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.17 150.05 49.69 Favored Glycine 0 CA--C 1.498 -1.009 0 N-CA-C 115.593 0.997 . . . . 25.0 115.593 -175.841 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -71.67 122.79 8.88 Favored 'Trans proline' 0 CA--C 1.504 -0.992 1 C-N-CA 112.058 -4.828 . . . . 25.0 109.409 160.544 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 15.2 pt -102.74 136.7 33.92 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 113.435 -1.711 . . . . 25.0 110.318 -178.452 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.528 ' HB3' ' CE1' ' A' ' 100' ' ' HIS . 45.1 mt-10 -82.13 101.95 10.75 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-N 114.997 -1.001 . . . . 25.0 110.726 -177.499 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 29.6 m -119.33 168.47 11.56 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.269 0 N-CA-C 108.788 -0.819 . . . . 25.0 108.788 179.623 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -108.1 153.57 22.94 Favored 'General case' 0 C--O 1.208 -1.1 0 CA-C-O 121.447 0.641 . . . . 25.0 111.516 -177.526 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.6 pt-20 -63.0 -26.27 68.78 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-O 121.486 0.66 . . . . 25.0 109.382 174.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -88.7 -0.98 57.83 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.208 1.003 . . . . 25.0 111.257 -176.78 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -73.48 139.79 45.99 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 107.24 -1.393 . . . . 25.0 107.24 -179.985 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.7 152.37 42.85 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 109.15 -0.685 . . . . 25.0 109.15 176.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.0 -40.11 79.94 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 108.862 -0.792 . . . . 25.0 108.862 174.709 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 26.7 p -64.02 -36.08 82.83 Favored 'General case' 0 C--O 1.213 -0.824 0 CA-C-N 115.342 -0.844 . . . . 25.0 110.978 -179.023 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -76.27 -34.3 59.13 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 122.067 -0.396 . . . . 25.0 110.25 -178.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.75 -47.34 84.99 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 107.467 -1.308 . . . . 25.0 107.467 174.872 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 98.8 mt -64.38 -38.05 81.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 C-N-CA 120.38 -0.528 . . . . 25.0 109.951 179.335 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.52 -40.61 79.12 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 118.377 0.535 . . . . 25.0 111.619 178.29 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 46.4 tp -64.96 -40.86 95.64 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.934 -0.395 . . . . 25.0 109.934 176.914 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.9 mt -64.36 -29.04 70.12 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 112.26 0.467 . . . . 25.0 112.26 178.302 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -63.37 -42.3 98.86 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.357 -0.979 . . . . 25.0 108.357 176.674 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.25 -45.68 19.29 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.617 0.969 . . . . 25.0 113.617 -175.266 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.2 t0 -90.91 -45.38 8.8 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.501 0.556 . . . . 25.0 112.501 -172.716 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 84.2 m -94.36 -8.15 39.65 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 113.184 0.809 . . . . 25.0 113.184 -175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.92 29.01 74.03 Favored Glycine 0 C--O 1.245 0.788 0 C-N-CA 121.059 -0.591 . . . . 25.0 111.859 -177.094 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 73.9 t80 -69.76 117.23 11.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 121.591 -0.947 . . . . 25.0 113.034 -175.175 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.28 104.9 17.03 Favored 'General case' 0 C--O 1.217 -0.658 0 CA-C-N 115.899 -0.591 . . . . 25.0 110.567 174.881 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.4 pttp -66.71 -8.38 27.52 Favored 'General case' 0 N--CA 1.484 1.242 0 N-CA-C 112.894 0.701 . . . . 25.0 112.894 175.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 4.3 p -87.84 -21.45 25.02 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 112.891 0.7 . . . . 25.0 112.891 176.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -114.01 -29.23 7.08 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 121.284 0.564 . . . . 25.0 110.814 -177.571 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -125.75 163.28 23.2 Favored 'General case' 0 N--CA 1.441 -0.902 0 CA-C-N 114.852 -1.067 . . . . 25.0 111.126 -172.041 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -120.77 153.81 36.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 175.658 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.9 tp -103.33 129.24 50.32 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 107.193 -1.41 . . . . 25.0 107.193 176.778 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -114.47 141.21 47.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 123.349 0.406 . . . . 25.0 111.084 -174.289 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -146.89 138.2 24.15 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 106.175 -1.787 . . . . 25.0 106.175 173.56 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 52.75 35.29 18.19 Favored 'General case' 0 C--O 1.215 -0.756 0 O-C-N 123.204 0.315 . . . . 25.0 111.606 179.336 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 56.7 mtp 66.52 10.46 7.37 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 114.796 1.406 . . . . 25.0 114.796 178.638 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -118.99 166.58 12.68 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.321 -0.992 . . . . 25.0 108.321 179.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -93.86 127.7 45.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 C-N-CA 123.195 0.598 . . . . 25.0 110.906 -176.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.6 mt -85.11 105.31 15.74 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.874 -0.787 . . . . 25.0 108.874 176.043 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -64.43 125.57 25.05 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.986 -0.746 . . . . 25.0 108.986 177.502 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.7 m -67.64 -13.16 61.85 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 113.425 0.898 . . . . 25.0 113.425 -176.504 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.4 t30 -82.24 -3.24 54.74 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 112.337 0.495 . . . . 25.0 112.337 178.096 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -75.37 119.42 19.44 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.003 -0.739 . . . . 25.0 109.003 177.684 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 41.1 p -95.71 25.98 4.28 Favored 'General case' 0 C--O 1.219 -0.546 0 CA-C-O 120.991 0.424 . . . . 25.0 110.533 177.825 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -77.22 166.5 23.14 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.82 -0.627 . . . . 25.0 110.224 -179.575 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 50.3 m -94.5 157.14 16.13 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 106.757 -1.572 . . . . 25.0 106.757 175.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 80.5 mt -60.57 -30.83 70.04 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.12 0.486 . . . . 25.0 110.938 -178.576 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -56.52 -38.21 71.51 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.477 -0.783 . . . . 25.0 112.901 175.905 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -75.72 -23.79 56.1 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.827 0.346 . . . . 25.0 111.563 -177.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.5 mt -80.5 -10.04 59.75 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.81 -0.811 . . . . 25.0 108.81 177.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 76.54 17.2 80.12 Favored Glycine 0 N--CA 1.449 -0.48 0 CA-C-N 115.111 -0.95 . . . . 25.0 114.159 173.361 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 3.4 pp -95.22 149.21 21.57 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.869 0.366 . . . . 25.0 111.144 -177.249 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.4 ptpt -136.79 -178.14 5.05 Favored 'General case' 0 C--O 1.215 -0.722 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -171.189 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 12.2 t -64.04 5.37 0.24 Allowed 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 116.55 2.055 . . . . 25.0 116.55 178.662 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.426 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 14.7 t0 -118.51 6.12 11.72 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 123.56 0.744 . . . . 25.0 109.231 -175.212 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 -101.6 154.52 18.78 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 115.13 1.53 . . . . 25.0 115.13 -174.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 60.0 tp -111.84 131.78 55.13 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 113.735 -1.575 . . . . 25.0 110.339 178.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -110.87 139.96 45.74 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 107.661 -1.237 . . . . 25.0 107.661 178.614 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 93.7 mt -121.13 147.3 45.74 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 112.756 0.65 . . . . 25.0 112.756 -175.721 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.6 mm -104.73 121.18 56.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 106.783 -1.562 . . . . 25.0 106.783 176.399 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -119.53 144.51 47.0 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 109.578 -0.527 . . . . 25.0 109.578 -176.224 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -88.19 116.79 4.65 Favored Glycine 0 C--O 1.213 -1.189 0 N-CA-C 111.13 -0.788 . . . . 25.0 111.13 179.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 10.1 pttt -95.93 -30.73 13.47 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-O 121.51 0.672 . . . . 25.0 109.648 177.535 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 96.6 mt -131.37 126.54 58.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 106.352 -1.722 . . . . 25.0 106.352 179.329 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 13.1 m 61.47 178.03 0.12 Allowed 'General case' 0 C--O 1.239 0.535 0 C-N-CA 124.155 0.982 . . . . 25.0 113.042 -176.95 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.5 p-10 -120.35 26.31 9.28 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 122.005 0.907 . . . . 25.0 110.249 -177.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.217 -0.606 0 CA-C-O 123.856 1.789 . . . . 25.0 111.082 -176.954 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 66.8 m80 . . . . . 0 N--CA 1.492 1.642 0 CA-C-O 124.22 1.962 . . . . 25.0 113.039 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.7 mp -120.96 116.31 49.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 106.16 -1.792 . . . . 25.0 106.16 177.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -71.92 146.75 47.61 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.988 -0.551 . . . . 25.0 109.676 178.728 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 167.83 -144.78 9.16 Favored Glycine 0 C--O 1.221 -0.669 0 N-CA-C 109.732 -1.347 . . . . 25.0 109.732 -179.434 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -62.63 -17.8 61.02 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.274 0.472 . . . . 25.0 112.274 178.522 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -118.72 142.09 48.0 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.43 -1.322 . . . . 25.0 107.43 -179.791 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.5 ptt? -146.85 160.97 41.63 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.583 -0.895 . . . . 25.0 108.583 -179.277 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -114.25 127.81 56.06 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 108.062 -1.088 . . . . 25.0 108.062 -176.565 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 64.0 mt -118.17 129.12 55.33 Favored 'General case' 0 CA--C 1.495 -1.159 0 CA-C-O 120.249 0.071 . . . . 25.0 110.921 -178.318 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.0 m -93.06 138.02 31.89 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 108.348 -0.982 . . . . 25.0 108.348 -179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.5 mm -116.41 131.77 67.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.59 -0.892 . . . . 25.0 108.59 -174.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 51.8 m -128.18 134.99 49.13 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 121.362 0.601 . . . . 25.0 111.243 179.087 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.418 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.6 m-20 -95.62 97.92 10.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.021 0.439 . . . . 25.0 111.108 -176.845 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -65.56 -9.12 23.82 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.748 0.785 . . . . 25.0 111.143 177.166 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 22.3 mt -82.75 -30.18 29.19 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 114.025 1.121 . . . . 25.0 114.025 176.106 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.8 p -127.46 -20.41 4.02 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 113.41 0.893 . . . . 25.0 113.41 -169.473 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 89.88 -5.09 83.53 Favored Glycine 0 C--O 1.225 -0.42 0 N-CA-C 111.903 -0.479 . . . . 25.0 111.903 -175.684 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -75.99 156.41 34.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.974 0.416 . . . . 25.0 110.461 178.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 84.6 mt -129.74 128.2 65.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 107.13 -1.433 . . . . 25.0 107.13 178.972 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.425 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 58.1 m-85 -100.15 171.4 7.83 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 107.825 -1.176 . . . . 25.0 107.825 178.914 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.91 162.28 53.99 Favored Glycine 0 CA--C 1.487 -1.656 0 N-CA-C 119.407 2.523 . . . . 25.0 119.407 -168.609 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 40.1 Cg_endo -71.22 113.48 3.61 Favored 'Trans proline' 0 C--O 1.243 0.747 0 C-N-CA 113.914 -3.59 . . . . 25.0 109.511 160.074 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.4 pt -99.62 134.51 38.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.317 0 CA-C-N 112.146 -2.297 . . . . 25.0 108.533 -177.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.02 105.27 17.04 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 122.699 1.238 . . . . 25.0 110.479 -172.287 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.34 166.03 17.54 Favored 'Isoleucine or valine' 0 CA--C 1.506 -0.728 0 CA-C-N 114.837 -1.074 . . . . 25.0 110.25 -176.2 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.7 t -94.64 148.69 22.01 Favored 'General case' 0 C--N 1.315 -0.917 0 C-N-CA 120.505 -0.478 . . . . 25.0 110.815 -178.796 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -62.82 -28.81 70.26 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 122.173 0.987 . . . . 25.0 109.593 173.692 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -90.08 -1.38 57.94 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.159 -0.928 . . . . 25.0 110.909 -173.937 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -67.34 142.08 56.91 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 -179.442 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.57 155.19 39.39 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.523 -0.918 . . . . 25.0 108.523 178.801 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.71 -40.54 83.98 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 108.462 -0.94 . . . . 25.0 108.462 175.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.8 p -66.02 -32.14 73.45 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.176 -0.466 . . . . 25.0 110.929 -178.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -75.9 -35.03 59.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.68 -0.489 . . . . 25.0 109.68 -177.835 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.7 tp -59.21 -46.16 89.19 Favored 'General case' 0 C--O 1.218 -0.567 0 N-CA-C 107.935 -1.135 . . . . 25.0 107.935 174.099 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.08 -34.48 66.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 121.098 -0.241 . . . . 25.0 110.763 179.125 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.43 -41.47 80.49 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.359 -0.537 . . . . 25.0 110.146 176.675 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.5 tp -70.86 -40.25 72.43 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.627 0.251 . . . . 25.0 111.21 176.251 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.83 -33.2 75.14 Favored 'General case' 0 C--O 1.219 -0.535 0 O-C-N 122.033 -0.417 . . . . 25.0 111.883 179.517 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 130' ' ' ALA . 29.6 mt-30 -66.55 -34.28 77.54 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.186 -0.322 . . . . 25.0 110.816 175.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.0 -43.05 25.15 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 -178.223 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -99.11 -57.93 2.05 Favored 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -174.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 35.8 m -78.98 -5.21 53.28 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 113.326 0.861 . . . . 25.0 113.326 -174.275 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 65.69 27.33 72.56 Favored Glycine 0 C--O 1.238 0.362 0 N-CA-C 111.79 -0.524 . . . . 25.0 111.79 -178.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -79.7 104.06 10.04 Favored 'General case' 0 C--O 1.21 -1.01 0 O-C-N 121.768 -0.842 . . . . 25.0 108.847 -176.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.9 103.84 11.0 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 107.397 -1.335 . . . . 25.0 107.397 174.234 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 7.9 pttt -62.53 -9.64 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.439 1.018 . . . . 25.0 113.161 -179.419 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.5 t -89.12 -25.05 22.07 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 112.865 0.691 . . . . 25.0 112.865 176.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -109.16 -14.77 14.45 Favored 'General case' 0 N--CA 1.469 0.521 0 O-C-N 122.01 -0.431 . . . . 25.0 110.942 178.714 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -129.29 158.78 38.12 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.011 -0.541 . . . . 25.0 111.24 -172.082 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -119.91 147.34 44.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 107.055 -1.461 . . . . 25.0 107.055 178.595 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 51.9 tp -105.31 132.58 51.32 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 107.595 -1.261 . . . . 25.0 107.595 179.206 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -118.17 141.82 48.1 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.94 0.4 . . . . 25.0 111.064 -177.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -145.99 135.93 23.53 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 105.93 -1.878 . . . . 25.0 105.93 177.313 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 16.0 t30 52.31 34.07 14.07 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-O 121.838 0.828 . . . . 25.0 110.834 -177.105 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.2 mtp 60.81 15.25 5.76 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.068 1.507 . . . . 25.0 115.068 -178.421 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.57 165.11 13.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 107.339 -1.356 . . . . 25.0 107.339 176.236 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 56.1 mt -90.05 126.03 42.92 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-O 121.793 0.806 . . . . 25.0 111.336 -176.018 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 91.6 mt -88.09 97.35 10.93 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.84 -1.541 . . . . 25.0 106.84 171.627 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.63 130.61 47.65 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.248 -1.019 . . . . 25.0 108.248 178.585 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 59.6 p -67.64 -7.06 23.56 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 114.538 1.311 . . . . 25.0 114.538 -174.096 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -99.47 -0.54 40.53 Favored 'General case' 0 CA--C 1.537 0.468 0 N-CA-C 111.863 0.32 . . . . 25.0 111.863 178.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 42.2 mtp180 -68.92 123.26 20.51 Favored 'General case' 0 C--O 1.217 -0.655 0 N-CA-C 108.225 -1.028 . . . . 25.0 108.225 177.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 69.4 p -98.37 26.77 5.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.218 0.532 . . . . 25.0 110.713 -178.084 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -81.12 169.14 17.79 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.839 -0.8 . . . . 25.0 108.839 -179.596 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.6 m -96.95 160.48 14.32 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.586 -1.635 . . . . 25.0 106.586 175.148 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.6 mt -60.93 -33.02 72.51 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.069 0.461 . . . . 25.0 110.858 -178.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -58.18 -34.01 69.87 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.35 0.87 . . . . 25.0 113.35 176.062 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -74.44 -24.92 59.15 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.938 0.399 . . . . 25.0 110.918 -179.992 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.9 -13.85 58.54 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.28 7.22 80.19 Favored Glycine 0 CA--C 1.51 -0.28 0 CA-C-N 115.349 -0.841 . . . . 25.0 112.719 175.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.7 pp -84.88 148.24 26.37 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.86 0.689 . . . . 25.0 112.86 -177.006 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -137.73 -172.96 3.36 Favored 'General case' 0 C--O 1.209 -1.062 0 CA-C-N 114.938 -1.028 . . . . 25.0 109.664 -173.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.5 t -65.47 -5.0 6.6 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 115.49 1.663 . . . . 25.0 115.49 -178.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -103.06 6.47 38.68 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.614 0.721 . . . . 25.0 109.364 -177.941 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -92.04 160.43 15.23 Favored 'General case' 0 C--O 1.24 0.584 0 CA-C-O 121.708 0.766 . . . . 25.0 112.73 -177.126 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.1 tt -140.7 128.21 21.38 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.337 -0.847 . . . . 25.0 109.648 179.826 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -100.03 144.21 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.921 -0.581 . . . . 25.0 110.718 -175.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 94.8 mt -113.88 134.76 54.61 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.004 0.43 . . . . 25.0 111.811 179.424 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.418 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.7 mm -98.72 124.48 51.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.22 -0.445 . . . . 25.0 109.86 177.83 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -120.0 171.48 8.42 Favored 'General case' 0 C--O 1.211 -0.963 0 N-CA-C 108.73 -0.841 . . . . 25.0 108.73 178.125 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -101.95 145.92 16.85 Favored Glycine 0 N--CA 1.447 -0.605 0 N-CA-C 108.237 -1.945 . . . . 25.0 108.237 175.893 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.32 126.62 30.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.767 0.317 . . . . 25.0 110.233 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 49.1 mm -71.08 -37.06 65.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 107.567 -1.271 . . . . 25.0 107.567 175.43 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 33.7 t -81.99 109.15 16.07 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.885 -0.783 . . . . 25.0 108.885 176.46 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -63.46 138.29 58.46 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.554 0.692 . . . . 25.0 111.767 -178.601 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.213 -0.853 0 CA-C-O 125.185 2.421 . . . . 25.0 112.368 177.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 22.5 m80 . . . . . 0 N--CA 1.482 1.127 0 CA-C-O 124.268 1.985 . . . . 25.0 113.363 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 39.1 pt -77.14 167.89 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 CA-C-N 113.256 -1.793 . . . . 25.0 109.926 177.451 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -66.28 156.52 34.07 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.316 0.579 . . . . 25.0 110.216 177.784 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -116.75 157.22 15.17 Favored Glycine 0 C--O 1.227 -0.311 0 CA-C-N 115.735 -0.666 . . . . 25.0 112.665 -179.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 27.2 ptt-85 -108.28 13.03 26.02 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.385 0.674 . . . . 25.0 109.555 -179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.493 ' CE1' ' HB2' ' A' ' 118' ' ' GLU . 2.4 t-160 -126.32 134.18 51.18 Favored 'General case' 0 CA--C 1.51 -0.591 0 N-CA-C 101.904 -3.369 . . . . 25.0 101.904 -179.535 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.4 ptt? -142.92 158.36 43.69 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 107.733 -1.21 . . . . 25.0 107.733 -170.983 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.1 m-20 -111.82 119.65 39.31 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.978 -1.119 . . . . 25.0 107.978 -175.126 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -113.31 133.36 55.16 Favored 'General case' 0 CA--C 1.502 -0.901 0 N-CA-C 107.895 -1.15 . . . . 25.0 107.895 -178.555 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -97.97 135.72 39.28 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.484 -0.932 . . . . 25.0 108.484 -176.722 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.3 mm -108.78 133.97 52.19 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 106.382 -1.71 . . . . 25.0 106.382 -177.862 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 38.3 t -131.6 137.4 48.39 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.678 0.751 . . . . 25.0 110.685 178.976 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -89.94 110.08 21.07 Favored 'General case' 0 N--CA 1.431 -1.377 0 N-CA-C 112.372 0.508 . . . . 25.0 112.372 -177.895 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -68.88 -17.74 64.03 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.541 0.336 . . . . 25.0 111.779 -179.591 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -87.29 -38.32 16.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.332 0.864 . . . . 25.0 113.332 -179.106 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 56.4 p -109.25 -15.49 14.27 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 112.647 0.61 . . . . 25.0 112.647 -173.216 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.95 -5.5 82.43 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 112.042 -0.423 . . . . 25.0 112.042 -178.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -69.08 150.11 47.97 Favored 'General case' 0 C--O 1.246 0.92 0 N-CA-C 113.581 0.956 . . . . 25.0 113.581 -176.618 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.91 118.55 55.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.29 -1.374 . . . . 25.0 107.29 176.523 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -90.03 175.14 7.29 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 106.868 -1.53 . . . . 25.0 106.868 178.743 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.27 149.04 51.27 Favored Glycine 0 CA--C 1.498 -0.993 0 N-CA-C 115.176 0.83 . . . . 25.0 115.176 -171.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -71.2 120.91 7.34 Favored 'Trans proline' 0 CA--C 1.505 -0.971 1 C-N-CA 112.174 -4.751 . . . . 25.0 106.885 160.652 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 18.6 pt -99.06 129.51 49.35 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 113.322 -1.763 . . . . 25.0 109.277 -176.216 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.493 ' HB2' ' CE1' ' A' ' 100' ' ' HIS . 5.2 pt-20 -86.63 104.19 15.82 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-O 122.21 1.005 . . . . 25.0 110.63 -172.351 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.8 m -125.54 166.41 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-N 115.185 -0.916 . . . . 25.0 109.883 -173.297 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 2.0 m -111.09 153.93 24.99 Favored 'General case' 0 C--O 1.209 -1.049 0 CA-C-O 122.163 0.983 . . . . 25.0 112.629 -177.404 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -66.12 -24.47 66.69 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 113.575 0.954 . . . . 25.0 113.575 -176.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -92.9 5.78 50.11 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.097 0.475 . . . . 25.0 110.93 -179.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.9 ttt -73.88 142.75 46.02 Favored 'General case' 0 N--CA 1.444 -0.77 0 N-CA-C 106.984 -1.488 . . . . 25.0 106.984 175.658 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -73.45 153.68 40.28 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.243 0.544 . . . . 25.0 109.592 178.28 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -57.95 -40.46 80.6 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 108.565 -0.902 . . . . 25.0 108.565 173.794 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 8.3 p -68.99 -30.15 68.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.287 -0.415 . . . . 25.0 111.529 -178.57 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -76.53 -34.55 58.55 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.988 0.423 . . . . 25.0 110.172 179.681 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 67.5 tp -59.06 -46.66 87.69 Favored 'General case' 0 C--O 1.219 -0.518 0 N-CA-C 108.288 -1.004 . . . . 25.0 108.288 173.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 94.3 mt -66.42 -34.94 73.44 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.655 0 N-CA-C 110.276 -0.268 . . . . 25.0 110.276 179.347 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.42 -38.91 85.57 Favored 'General case' 0 CA--C 1.537 0.456 0 O-C-N 121.974 -0.454 . . . . 25.0 110.303 178.531 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 54.5 tp -65.55 -40.56 93.0 Favored 'General case' 0 CA--C 1.537 0.477 0 N-CA-C 109.421 -0.585 . . . . 25.0 109.421 175.5 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.6 mt -64.71 -29.32 70.3 Favored 'General case' 0 C--O 1.223 -0.324 0 N-CA-C 112.056 0.391 . . . . 25.0 112.056 178.593 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -64.12 -41.62 97.17 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 179.152 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -80.73 -49.58 10.99 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.79 1.034 . . . . 25.0 113.79 -176.287 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -87.22 -42.3 13.07 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 113.628 0.973 . . . . 25.0 113.628 -172.346 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.1 m -96.27 -3.67 43.65 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 112.725 0.639 . . . . 25.0 112.725 -177.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.1 25.27 73.4 Favored Glycine 0 C--O 1.249 1.078 0 C-N-CA 121.079 -0.582 . . . . 25.0 113.47 -179.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -66.54 135.52 54.3 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.541 0.686 . . . . 25.0 110.859 -178.249 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -125.33 118.78 26.7 Favored 'General case' 0 C--O 1.216 -0.696 0 N-CA-C 106.961 -1.496 . . . . 25.0 106.961 179.365 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.3 ptpt -71.24 -7.86 49.74 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 115.673 1.731 . . . . 25.0 115.673 -172.906 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 1.1 t -108.88 -20.52 13.02 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 121.508 -0.745 . . . . 25.0 111.125 179.589 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -99.75 -19.22 16.84 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.561 0.22 . . . . 25.0 111.074 176.572 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 58.1 m80 -134.21 162.6 31.7 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.546 0.688 . . . . 25.0 110.405 -177.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -124.06 149.61 45.93 Favored 'General case' 0 C--O 1.249 1.062 0 N-CA-C 104.994 -2.224 . . . . 25.0 104.994 174.383 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -104.89 128.85 53.27 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 106.907 -1.516 . . . . 25.0 106.907 177.47 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -111.88 138.23 48.78 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.933 -0.765 . . . . 25.0 108.933 -179.467 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -125.17 122.47 37.15 Favored 'General case' 0 CA--C 1.499 -0.982 0 N-CA-C 106.852 -1.536 . . . . 25.0 106.852 177.011 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 49.48 39.0 15.7 Favored 'General case' 0 N--CA 1.477 0.904 0 O-C-N 123.606 0.567 . . . . 25.0 111.595 -175.759 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.4 mtp 68.29 9.02 6.98 Favored 'General case' 0 N--CA 1.475 0.78 0 N-CA-C 117.005 2.224 . . . . 25.0 117.005 179.912 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -106.33 158.39 16.91 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.413 -1.328 . . . . 25.0 107.413 172.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 46.8 mt -88.0 125.79 41.46 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.829 0 C-N-CA 123.186 0.595 . . . . 25.0 110.82 -173.004 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 23.5 mt -85.67 129.62 34.78 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.127 0.965 . . . . 25.0 113.171 176.703 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -75.15 111.39 10.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 106.813 -1.551 . . . . 25.0 106.813 170.292 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 48.8 m -65.91 -5.55 9.63 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -176.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 39.4 t30 -95.94 -1.54 48.96 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.19 0.441 . . . . 25.0 112.19 -179.608 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.4 mmp_? -68.23 124.91 24.78 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 107.998 -1.112 . . . . 25.0 107.998 -179.006 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.7 24.32 10.0 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.169 0.509 . . . . 25.0 111.914 -175.844 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -83.32 167.62 17.42 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.249 -0.648 . . . . 25.0 109.249 179.793 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 5.3 m -91.28 159.7 15.9 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 107.931 -1.137 . . . . 25.0 107.931 178.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 59.3 mt -60.44 -33.62 72.8 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 122.05 -0.406 . . . . 25.0 111.174 178.827 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 45.4 tptt -61.27 -36.9 81.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 113.016 0.746 . . . . 25.0 113.016 177.275 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -67.85 -27.25 66.53 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-O 121.022 0.439 . . . . 25.0 110.15 -177.954 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -83.93 -17.1 41.8 Favored 'General case' 0 C--O 1.216 -0.669 0 CA-C-N 115.351 -0.84 . . . . 25.0 109.863 -179.631 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.11 10.58 74.64 Favored Glycine 0 N--CA 1.45 -0.374 0 N-CA-C 114.92 0.728 . . . . 25.0 114.92 173.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.05 163.8 26.77 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 114.1 1.148 . . . . 25.0 114.1 -177.071 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.472 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.4 ptpt -143.29 178.79 7.49 Favored 'General case' 0 C--O 1.203 -1.367 0 N-CA-C 113.46 0.911 . . . . 25.0 113.46 -172.436 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.9 t -70.04 1.88 4.16 Favored 'General case' 0 N--CA 1.487 1.406 0 N-CA-C 114.719 1.377 . . . . 25.0 114.719 178.234 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.472 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -113.74 14.09 18.67 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 108.421 -0.955 . . . . 25.0 108.421 -175.203 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -108.47 164.07 12.66 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.014 0.746 . . . . 25.0 113.014 -175.444 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 3.2 tt -138.37 141.53 39.64 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.914 0.709 . . . . 25.0 112.914 -175.344 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 5.4 mp -116.97 148.79 41.12 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.944 -0.571 . . . . 25.0 111.703 -178.089 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 84.8 mt -118.56 136.2 53.99 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.123 0.487 . . . . 25.0 112.008 -179.032 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 22.4 mm -99.3 117.92 45.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 N-CA-C 107.506 -1.294 . . . . 25.0 107.506 175.684 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -117.28 146.87 43.04 Favored 'General case' 0 C--O 1.213 -0.848 0 N-CA-C 108.109 -1.071 . . . . 25.0 108.109 -177.772 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -86.08 146.12 21.0 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 109.02 -1.632 . . . . 25.0 109.02 175.199 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 17.1 pttp -133.8 164.3 27.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.97 0.414 . . . . 25.0 110.827 177.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.8 mp -76.52 127.17 37.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 177.86 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.2 m -84.93 152.94 23.15 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 110.075 -0.343 . . . . 25.0 110.075 177.326 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 17.3 p-10 -124.31 31.34 5.79 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.992 0.901 . . . . 25.0 110.296 178.521 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.216 -0.687 0 CA-C-O 124.331 2.015 . . . . 25.0 113.906 -177.683 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 29.8 p80 . . . . . 0 N--CA 1.482 1.141 0 N-CA-C 113.715 1.006 . . . . 25.0 113.715 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 81.7 mt 72.99 131.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.356 0.876 0 C-N-CA 126.592 1.957 . . . . 25.0 111.466 177.409 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 74.2 150.57 0.11 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.46 1.504 . . . . 25.0 113.163 -177.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -156.63 65.36 0.31 Allowed Glycine 0 CA--C 1.519 0.298 0 CA-C-N 115.866 -0.607 . . . . 25.0 113.879 -172.513 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 80.8 mtt85 -65.97 148.47 51.75 Favored 'General case' 0 N--CA 1.468 0.473 0 O-C-N 122.016 -0.697 . . . . 25.0 110.487 179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -79.35 151.42 31.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.472 -0.785 . . . . 25.0 109.029 173.537 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.2 ptt? -147.37 153.45 39.67 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 106.978 -1.489 . . . . 25.0 106.978 176.715 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -97.84 118.65 34.88 Favored 'General case' 0 N--CA 1.446 -0.628 0 O-C-N 123.723 0.639 . . . . 25.0 110.377 -178.6 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.4 mp -110.55 139.42 45.81 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 108.344 -0.984 . . . . 25.0 108.344 175.7 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 26.1 m -105.31 137.11 43.63 Favored 'General case' 0 C--N 1.318 -0.761 0 O-C-N 123.5 0.5 . . . . 25.0 110.159 179.08 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.0 mm -117.68 135.13 59.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 N-CA-C 108.633 -0.877 . . . . 25.0 108.633 -175.457 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 60.1 m -132.08 133.99 44.97 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-O 121.134 0.492 . . . . 25.0 111.162 176.645 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 -93.36 101.04 13.26 Favored 'General case' 0 C--N 1.315 -0.896 0 CA-C-O 121.521 0.677 . . . . 25.0 110.309 -177.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -62.56 -18.3 61.79 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.15 -0.932 . . . . 25.0 112.504 -178.616 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 48.6 mt -84.88 -33.77 22.73 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 115.052 1.501 . . . . 25.0 115.052 178.194 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 50.6 p -112.88 -15.03 12.98 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 112.634 0.605 . . . . 25.0 112.634 -170.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.58 -2.01 88.09 Favored Glycine 0 CA--C 1.522 0.513 0 CA-C-N 115.903 -0.589 . . . . 25.0 112.151 -178.241 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -71.49 142.02 50.18 Favored 'General case' 0 C--O 1.239 0.521 0 N-CA-C 112.804 0.668 . . . . 25.0 112.804 -177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.9 mm -114.4 108.11 24.62 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 106.404 -1.702 . . . . 25.0 106.404 177.871 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -85.28 171.71 11.7 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 107.845 -1.169 . . . . 25.0 107.845 -178.622 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -77.1 162.55 51.59 Favored Glycine 0 CA--C 1.492 -1.394 0 N-CA-C 117.339 1.695 . . . . 25.0 117.339 -170.286 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.26 115.32 4.11 Favored 'Trans proline' 0 CA--C 1.504 -0.979 0 C-N-CA 114.734 -3.044 . . . . 25.0 110.62 161.933 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 19.0 pt -96.74 130.02 45.96 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.52 0 CA-C-N 112.397 -2.183 . . . . 25.0 108.871 -178.273 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -84.06 104.58 14.24 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 108.063 -1.088 . . . . 25.0 108.063 -176.108 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.4 m -124.33 166.57 19.48 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.112 0 N-CA-C 107.884 -1.154 . . . . 25.0 107.884 -176.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.3 m -107.04 154.71 20.72 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 121.493 -0.754 . . . . 25.0 112.94 -176.821 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -64.72 -23.95 67.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.541 -0.754 . . . . 25.0 110.912 179.051 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -100.49 5.82 44.2 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.835 0.35 . . . . 25.0 111.389 179.778 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 12.7 ttt -69.54 144.0 53.25 Favored 'General case' 0 CA--C 1.511 -0.547 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 174.406 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -77.88 154.01 32.12 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.456 -0.942 . . . . 25.0 108.456 179.511 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -58.25 -40.68 82.4 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.793 -1.188 . . . . 25.0 107.793 173.49 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 20.1 p -65.67 -32.04 73.39 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.393 -0.367 . . . . 25.0 111.702 -178.617 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -76.78 -34.22 58.01 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.405 -0.22 . . . . 25.0 110.405 178.328 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.14 -46.64 88.96 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.281 -0.637 . . . . 25.0 109.281 171.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 70.0 mt -62.31 -39.84 85.64 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.475 0 N-CA-C 109.801 -0.444 . . . . 25.0 109.801 177.634 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.33 -40.16 73.97 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 111.766 0.284 . . . . 25.0 111.766 179.564 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 43.3 tp -65.49 -41.46 93.24 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-O 121.351 0.596 . . . . 25.0 110.058 175.997 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 87.9 mt -65.97 -28.41 68.87 Favored 'General case' 0 C--O 1.22 -0.447 0 N-CA-C 112.39 0.515 . . . . 25.0 112.39 179.098 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -61.8 -39.65 92.48 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 176.501 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.94 -47.06 15.61 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.321 0.86 . . . . 25.0 113.321 -176.787 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.2 t0 -87.08 -56.84 3.2 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.841 0.682 . . . . 25.0 112.841 -174.875 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 85.3 m -80.57 -7.25 59.18 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.486 0.921 . . . . 25.0 113.486 -178.081 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.29 24.86 73.62 Favored Glycine 0 C--O 1.241 0.561 0 N-CA-C 110.986 -0.845 . . . . 25.0 110.986 -177.656 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -65.38 137.37 57.45 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.404 0.621 . . . . 25.0 110.581 -176.379 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -129.91 110.28 11.56 Favored 'General case' 0 C--N 1.318 -0.795 0 N-CA-C 107.573 -1.269 . . . . 25.0 107.573 179.703 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.5 pttp -65.55 -6.96 12.34 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 114.912 1.449 . . . . 25.0 114.912 -170.431 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 15.1 p -99.09 -21.78 16.01 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 122.202 -0.311 . . . . 25.0 111.243 177.318 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 68.3 mttt -107.99 -22.29 12.48 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-O 121.127 0.489 . . . . 25.0 110.369 -175.841 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -136.11 162.54 32.64 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.655 -0.869 . . . . 25.0 108.655 -174.215 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -130.83 154.56 47.92 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 108.036 -1.098 . . . . 25.0 108.036 -178.106 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.17 132.72 50.12 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.024 -1.102 . . . . 25.0 108.024 177.209 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -118.62 138.15 52.78 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.063 0.458 . . . . 25.0 110.401 179.382 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -145.12 139.39 27.27 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 176.999 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.3 t30 50.44 37.81 16.64 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.331 0.586 . . . . 25.0 112.031 -179.882 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 80.1 mtp 60.25 24.66 14.06 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 115.099 1.518 . . . . 25.0 115.099 179.847 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 34.4 t0 -131.15 167.86 18.42 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 108.744 -0.836 . . . . 25.0 108.744 174.365 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 63.6 mt -91.61 129.32 42.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.678 0.752 . . . . 25.0 111.653 -176.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 97.5 mt -89.6 113.26 24.68 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.776 -0.824 . . . . 25.0 108.776 175.21 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -67.13 131.99 46.92 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.782 0.801 . . . . 25.0 109.761 178.203 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 93.6 p -74.67 -6.97 51.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 115.913 1.819 . . . . 25.0 115.913 -172.399 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 31.8 t30 -100.37 -0.55 38.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 118.157 0.435 . . . . 25.0 111.57 -178.178 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 90.9 mtt-85 -71.84 110.6 6.47 Favored 'General case' 0 C--O 1.216 -0.658 0 O-C-N 122.01 -0.431 . . . . 25.0 110.647 179.11 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.32 31.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.827 -0.546 . . . . 25.0 111.36 177.735 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -82.06 167.23 19.02 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.696 -0.854 . . . . 25.0 108.696 -178.459 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 25.1 m -89.85 157.18 18.02 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 107.576 -1.268 . . . . 25.0 107.576 177.963 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 40.0 mt -60.34 -30.94 69.85 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 122.171 -0.33 . . . . 25.0 111.405 -179.73 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 66.5 tttt -59.95 -37.04 78.4 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 113.013 0.746 . . . . 25.0 113.013 176.356 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -69.23 -30.43 68.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.663 0.744 . . . . 25.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 41.9 mt -77.11 -11.07 59.76 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.422 -0.808 . . . . 25.0 109.364 179.533 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 85.17 16.61 64.43 Favored Glycine 0 CA--C 1.517 0.199 0 CA-C-N 115.66 -0.7 . . . . 25.0 113.01 176.261 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 45.5 mt -70.83 147.99 48.3 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 113.445 0.905 . . . . 25.0 113.445 -177.027 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.511 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 18.3 ptpt -140.57 172.73 12.3 Favored 'General case' 0 C--O 1.214 -0.789 0 CA-C-N 115.532 -0.758 . . . . 25.0 110.148 178.882 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 13.3 t -70.37 11.02 0.38 Allowed 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 115.546 1.684 . . . . 25.0 115.546 -179.68 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.511 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.4 t0 -122.04 8.0 9.81 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.412 -0.959 . . . . 25.0 108.412 -174.786 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -94.95 147.27 23.56 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.745 1.387 . . . . 25.0 114.745 -174.425 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.2 tt -124.55 132.26 53.46 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 114.299 -1.318 . . . . 25.0 107.509 176.277 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 7.3 mp -119.07 151.01 39.02 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.705 -0.48 . . . . 25.0 109.705 -175.271 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 51.6 mt -114.37 144.25 43.59 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.484 0.92 . . . . 25.0 113.484 -174.682 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.2 mm -105.42 117.75 51.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 N-CA-C 106.662 -1.607 . . . . 25.0 106.662 177.23 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 21.6 tpt180 -112.67 158.88 19.48 Favored 'General case' 0 C--O 1.216 -0.695 0 N-CA-C 108.946 -0.761 . . . . 25.0 108.946 -176.151 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -95.67 136.34 12.82 Favored Glycine 0 C--O 1.224 -0.493 0 N-CA-C 111.227 -0.749 . . . . 25.0 111.227 176.279 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 3.7 mmmt -86.85 -47.18 9.26 Favored 'General case' 0 CA--C 1.501 -0.936 0 N-CA-C 107.525 -1.287 . . . . 25.0 107.525 175.298 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 77.8 mt -93.27 124.38 45.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 113.152 -1.84 . . . . 25.0 106.539 179.512 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 37.6 t -110.67 112.43 24.31 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.15 -1.055 . . . . 25.0 108.15 177.796 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 34.9 p-10 -126.14 17.02 7.83 Favored 'General case' 0 C--O 1.22 -0.486 0 CA-C-O 120.987 0.422 . . . . 25.0 110.837 -179.429 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 35.6 m . . . . . 0 C--O 1.206 -1.194 0 CA-C-O 122.396 1.094 . . . . 25.0 112.236 -174.552 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 32.7 t60 . . . . . 0 N--CA 1.494 1.737 0 CA-C-O 123.515 1.626 . . . . 25.0 112.875 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 22.6 mm 62.93 47.63 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 N-CA-C 104.127 -2.545 . . . . 25.0 104.127 -172.037 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.499 ' H ' ' CD ' ' A' ' 97' ' ' GLU . 1.9 pm0 -70.05 170.22 11.83 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 112.15 -2.296 . . . . 25.0 110.058 -178.387 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.41 -43.95 2.78 Favored Glycine 0 C--O 1.222 -0.624 0 N-CA-C 109.576 -1.41 . . . . 25.0 109.576 -175.68 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -69.9 -21.23 63.33 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 172.732 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -131.73 143.82 50.53 Favored 'General case' 0 N--CA 1.444 -0.756 0 N-CA-C 105.967 -1.864 . . . . 25.0 105.967 171.19 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -122.37 149.74 43.37 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 104.705 -2.331 . . . . 25.0 104.705 174.778 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -101.1 117.36 34.85 Favored 'General case' 0 C--N 1.313 -1.018 0 N-CA-C 107.846 -1.168 . . . . 25.0 107.846 -174.639 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 36.8 mt -107.07 124.6 49.9 Favored 'General case' 0 CA--C 1.491 -1.309 0 N-CA-C 109.191 -0.67 . . . . 25.0 109.191 -179.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.9 m -92.21 135.4 34.02 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.243 -1.021 . . . . 25.0 108.243 -178.467 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.404 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 23.2 mm -112.46 137.05 46.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 107.261 -1.385 . . . . 25.0 107.261 -175.859 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.0 t -137.84 136.17 36.9 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.414 0.626 . . . . 25.0 111.528 179.115 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -89.44 107.96 19.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-O 121.307 0.575 . . . . 25.0 112.257 179.321 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.25 -12.5 61.72 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.836 -0.62 . . . . 25.0 110.52 177.937 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 90.7 mt -82.61 -38.44 23.57 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 113.049 0.759 . . . . 25.0 113.049 176.919 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.0 p -114.69 -16.5 11.8 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.903 1.075 . . . . 25.0 113.903 -171.191 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.22 -3.72 86.79 Favored Glycine 0 CA--C 1.52 0.356 0 CA-C-N 116.427 -0.352 . . . . 25.0 112.366 -176.403 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -71.15 147.68 48.13 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.674 0.749 . . . . 25.0 112.754 -178.092 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 44.5 mm -110.66 123.99 67.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 N-CA-C 106.861 -1.533 . . . . 25.0 106.861 177.866 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.404 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 38.1 m-85 -101.58 172.77 6.76 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 106.737 -1.579 . . . . 25.0 106.737 179.625 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.49 146.32 48.49 Favored Glycine 0 CA--C 1.498 -0.982 0 N-CA-C 117.064 1.586 . . . . 25.0 117.064 -169.661 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -70.18 115.69 4.27 Favored 'Trans proline' 0 N--CA 1.455 -0.789 1 C-N-CA 111.938 -4.908 . . . . 25.0 108.913 160.106 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 13.9 pt -96.95 132.29 41.76 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 CA-C-N 114.337 -1.302 . . . . 25.0 108.947 -177.763 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -86.97 106.25 17.69 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 123.089 1.423 . . . . 25.0 110.092 -174.802 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 19.8 m -122.54 167.54 16.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 113.642 -1.617 . . . . 25.0 109.709 -174.512 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -102.02 152.1 21.36 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 122.014 -0.429 . . . . 25.0 110.577 -178.955 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.22 -27.11 68.83 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.196 0.522 . . . . 25.0 111.949 177.747 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 62.8 m-20 -95.53 11.52 32.77 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.706 0.765 . . . . 25.0 110.873 -176.265 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -74.13 142.93 45.51 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 105.824 -1.917 . . . . 25.0 105.824 172.525 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -79.66 157.37 27.25 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.522 -0.918 . . . . 25.0 108.522 178.636 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.2 tp -60.08 -38.7 83.66 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.474 -0.565 . . . . 25.0 109.474 175.408 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.8 p -62.26 -33.52 74.77 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.539 -0.301 . . . . 25.0 110.906 179.209 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -75.99 -37.82 58.08 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.104 -0.702 . . . . 25.0 109.104 -179.166 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 50.7 tp -61.64 -48.61 80.08 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 108.676 -0.861 . . . . 25.0 108.676 176.314 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 93.4 mt -63.71 -32.74 58.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.542 0 O-C-N 121.924 -0.485 . . . . 25.0 110.483 178.485 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.459 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -58.37 -41.78 85.53 Favored 'General case' 0 C--N 1.322 -0.613 0 O-C-N 121.711 -0.618 . . . . 25.0 110.163 176.134 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 44.2 tp -70.48 -41.88 72.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.713 -0.221 . . . . 25.0 110.736 176.648 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.04 -34.18 77.43 Favored 'General case' 0 C--O 1.218 -0.589 0 N-CA-C 112.603 0.594 . . . . 25.0 112.603 -179.476 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.459 HE21 ' HA ' ' A' ' 130' ' ' ALA . 33.0 mt-30 -63.79 -36.74 84.89 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.171 -0.331 . . . . 25.0 110.98 175.208 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.9 -45.69 20.06 Favored 'General case' 0 CA--C 1.538 0.498 0 N-CA-C 112.92 0.711 . . . . 25.0 112.92 -178.619 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.34 -57.91 2.62 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.434 0.902 . . . . 25.0 113.434 -173.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 76.5 m -83.22 -6.17 59.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.084 -0.507 . . . . 25.0 112.194 -175.322 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.47 24.09 72.21 Favored Glycine 0 C--O 1.236 0.25 0 C-N-CA 121.314 -0.47 . . . . 25.0 111.985 -177.948 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -76.48 104.02 6.77 Favored 'General case' 0 C--O 1.217 -0.618 0 N-CA-C 107.933 -1.136 . . . . 25.0 107.933 -177.113 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 64.0 t0 -87.87 106.39 18.06 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.308 -0.997 . . . . 25.0 108.308 177.377 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 24.7 pttm -58.29 -10.13 1.87 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 115.241 1.571 . . . . 25.0 115.241 179.933 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 63.0 p -91.73 -25.41 19.08 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 121.278 -0.889 . . . . 25.0 112.537 176.674 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 55.4 mttp -108.0 -14.61 14.71 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.465 0.65 . . . . 25.0 110.936 -177.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 57.7 m80 -132.02 161.67 32.6 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.308 -0.86 . . . . 25.0 110.77 -175.048 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -125.81 146.9 49.6 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.133 -1.062 . . . . 25.0 108.133 176.301 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.51 137.63 33.41 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 106.914 -1.513 . . . . 25.0 106.914 178.892 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -121.31 137.16 54.82 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 121.222 0.534 . . . . 25.0 110.308 179.82 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -146.91 134.97 21.51 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 106.549 -1.649 . . . . 25.0 106.549 178.0 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 52.79 32.37 12.12 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-O 121.183 0.516 . . . . 25.0 111.477 -177.557 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 63.7 mtp 64.86 14.39 9.19 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 115.328 1.603 . . . . 25.0 115.328 -179.007 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -117.02 165.41 13.38 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.435 -1.321 . . . . 25.0 107.435 174.659 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 61.4 mt -91.04 127.41 43.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.365 0.602 . . . . 25.0 110.94 -177.349 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 95.6 mt -84.48 105.11 15.06 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.145 -1.428 . . . . 25.0 107.145 173.15 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -64.87 121.87 15.62 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.67 -0.863 . . . . 25.0 108.67 179.611 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 83.0 p -67.91 -7.72 30.79 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 114.344 1.239 . . . . 25.0 114.344 -174.92 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 67.2 m-80 -91.03 -5.0 55.91 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.502 0.192 . . . . 25.0 111.113 179.469 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -77.94 138.06 38.66 Favored 'General case' 0 C--O 1.223 -0.301 0 N-CA-C 109.229 -0.656 . . . . 25.0 109.229 177.942 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 70.6 p -106.88 28.87 7.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.215 -0.448 . . . . 25.0 109.847 178.872 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -72.29 163.67 27.56 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.006 -0.738 . . . . 25.0 109.006 179.424 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 11.4 m -92.2 156.78 17.08 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 106.991 -1.485 . . . . 25.0 106.991 178.453 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 42.2 mt -62.42 -29.04 70.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 120.96 0.41 . . . . 25.0 110.332 179.079 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -56.05 -40.79 74.04 Favored 'General case' 0 C--O 1.222 -0.346 0 C-N-CA 124.12 0.968 . . . . 25.0 111.973 174.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.17 -27.71 62.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.154 0.502 . . . . 25.0 111.03 -177.074 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 49.1 mt -80.67 -13.61 58.87 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.827 -0.624 . . . . 25.0 109.538 -179.376 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.52 24.37 60.85 Favored Glycine 0 N--CA 1.453 -0.206 0 CA-C-N 115.78 -0.646 . . . . 25.0 111.869 178.384 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 63.0 mt -72.6 153.81 41.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.965 0.412 . . . . 25.0 110.201 179.885 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -149.83 173.15 14.07 Favored 'General case' 0 C--O 1.21 -1.017 0 N-CA-C 109.067 -0.716 . . . . 25.0 109.067 -173.346 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.4 t -72.66 -7.51 50.73 Favored 'General case' 0 N--CA 1.474 0.767 0 CA-C-O 121.668 0.746 . . . . 25.0 112.895 -179.102 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.52 9.42 42.59 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.418 -0.81 . . . . 25.0 110.511 -176.909 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -97.16 162.98 13.12 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 116.237 1.94 . . . . 25.0 116.237 -170.362 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 51.7 tp -134.17 128.43 34.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.698 -1.137 . . . . 25.0 110.106 -178.886 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.54 137.95 47.55 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 107.625 -1.25 . . . . 25.0 107.625 -178.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 80.0 mt -112.77 142.79 44.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.883 0.373 . . . . 25.0 111.561 -175.57 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 26.8 mm -111.18 123.81 67.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 N-CA-C 108.878 -0.786 . . . . 25.0 108.878 -179.462 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.9 ttt85 -124.48 163.16 22.43 Favored 'General case' 0 C--O 1.214 -0.764 0 N-CA-C 109.484 -0.561 . . . . 25.0 109.484 176.69 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -100.38 147.48 18.05 Favored Glycine 0 N--CA 1.444 -0.771 0 N-CA-C 108.101 -2.0 . . . . 25.0 108.101 178.968 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 52.2 pttt -126.94 170.32 12.38 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.388 -0.406 . . . . 25.0 109.997 178.823 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 42.8 mm -78.41 97.28 2.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.147 -0.686 . . . . 25.0 109.147 -179.882 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 50.9 p -71.2 145.48 49.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 106.881 -1.526 . . . . 25.0 106.881 175.092 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -134.45 140.37 46.19 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 108.755 -0.831 . . . . 25.0 108.755 -178.96 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 20.1 m . . . . . 0 C--O 1.206 -1.186 0 CA-C-O 124.183 1.944 . . . . 25.0 112.197 -178.998 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 . . . . . 0 N--CA 1.499 1.997 0 CA-C-O 124.168 1.937 . . . . 25.0 114.085 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 44.6 pt -117.29 165.57 12.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 113.094 -1.867 . . . . 25.0 107.085 175.732 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pt-20 -128.64 166.33 19.11 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.259 -1.015 . . . . 25.0 108.259 178.494 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -177.69 -158.36 20.51 Favored Glycine 0 C--O 1.221 -0.695 0 N-CA-C 108.829 -1.709 . . . . 25.0 108.829 179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -77.05 3.5 12.24 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 117.272 0.536 . . . . 25.0 111.162 177.982 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -123.81 141.0 52.43 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 102.44 -3.171 . . . . 25.0 102.44 175.888 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.7 ptt? -143.44 153.62 42.84 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 123.656 0.598 . . . . 25.0 109.668 -172.696 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -110.86 109.68 19.96 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 106.856 -1.535 . . . . 25.0 106.856 -174.226 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.407 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 23.3 mt -107.08 126.39 52.3 Favored 'General case' 0 CA--C 1.5 -0.976 0 C-N-CA 120.866 -0.334 . . . . 25.0 111.693 -173.438 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 25.5 m -88.88 131.46 35.1 Favored 'General case' 0 C--N 1.317 -0.809 0 C-N-CA 120.279 -0.569 . . . . 25.0 109.735 -176.496 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 24.3 mm -108.74 134.28 51.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 107.642 -1.244 . . . . 25.0 107.642 -177.478 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 59.2 m -133.45 138.98 46.45 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 120.957 0.408 . . . . 25.0 110.447 178.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.46 100.62 11.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.835 0.35 . . . . 25.0 111.634 -176.181 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -20.01 63.72 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.594 0.712 . . . . 25.0 110.792 177.322 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 31.2 mt -77.56 -31.77 53.38 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 113.865 1.061 . . . . 25.0 113.865 -179.048 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 71.0 p -123.73 -16.86 6.56 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.761 0.652 . . . . 25.0 112.761 -170.65 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.78 -2.11 87.89 Favored Glycine 0 C--O 1.227 -0.323 0 CA-C-N 116.041 -0.527 . . . . 25.0 112.079 -176.247 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -75.81 156.78 34.17 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.166 0.508 . . . . 25.0 111.136 -178.812 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 39.1 mm -122.83 128.99 75.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 107.106 -1.442 . . . . 25.0 107.106 179.465 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -103.91 174.75 5.74 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 107.513 -1.292 . . . . 25.0 107.513 179.004 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.32 156.47 51.28 Favored Glycine 0 CA--C 1.495 -1.217 0 N-CA-C 117.345 1.698 . . . . 25.0 117.345 -170.614 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.407 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 10.8 Cg_exo -69.58 115.6 4.14 Favored 'Trans proline' 0 N--CA 1.454 -0.802 1 C-N-CA 112.524 -4.517 . . . . 25.0 108.49 159.956 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 29.0 pt -96.82 139.53 19.29 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.258 0 CA-C-N 114.481 -1.236 . . . . 25.0 111.017 -177.21 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.05 105.18 16.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.091 -1.413 . . . . 25.0 110.795 -172.55 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.1 m -129.15 169.84 19.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.173 -0.921 . . . . 25.0 110.718 -178.558 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.5 m -107.99 154.2 21.98 Favored 'General case' 0 C--O 1.215 -0.743 0 CA-C-O 121.073 0.463 . . . . 25.0 111.89 -178.353 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -62.59 -25.49 68.11 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 115.861 -0.609 . . . . 25.0 111.802 176.978 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -89.71 -2.51 58.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.713 -0.676 . . . . 25.0 111.809 -177.283 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 14.1 ttt -68.38 141.1 55.83 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 106.731 -1.581 . . . . 25.0 106.731 -179.555 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.61 156.23 35.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.598 -0.89 . . . . 25.0 108.598 179.257 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -58.26 -41.19 83.71 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.728 -0.842 . . . . 25.0 108.728 175.087 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 28.2 p -66.15 -31.83 72.92 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.084 -0.507 . . . . 25.0 111.017 -178.311 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -76.06 -34.8 59.59 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.769 -0.456 . . . . 25.0 109.769 -177.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 57.0 tp -60.72 -46.24 91.15 Favored 'General case' 0 C--O 1.217 -0.607 0 N-CA-C 108.033 -1.099 . . . . 25.0 108.033 174.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 87.8 mt -62.64 -35.82 72.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.703 0 O-C-N 122.11 -0.369 . . . . 25.0 110.179 177.821 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.58 -39.79 85.27 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 121.864 -0.522 . . . . 25.0 110.871 177.14 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 35.4 tp -68.73 -41.62 78.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.821 0.343 . . . . 25.0 110.196 176.073 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 98.4 mt -64.83 -30.67 71.69 Favored 'General case' 0 C--O 1.218 -0.587 0 N-CA-C 111.911 0.337 . . . . 25.0 111.911 179.605 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -64.8 -38.33 90.61 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 121.922 -0.486 . . . . 25.0 110.776 174.764 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.22 -43.32 28.74 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.741 0.645 . . . . 25.0 112.741 -176.322 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -93.74 -58.05 2.38 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.992 0.738 . . . . 25.0 112.992 -175.612 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 57.9 m -83.07 -4.37 58.28 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 113.599 0.962 . . . . 25.0 113.599 -174.818 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.08 25.87 72.26 Favored Glycine 0 C--O 1.238 0.344 0 CA-C-O 121.495 0.497 . . . . 25.0 112.037 -178.279 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -81.05 104.31 11.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 121.794 -0.827 . . . . 25.0 110.862 -175.248 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -92.96 111.83 23.59 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 107.204 -1.406 . . . . 25.0 107.204 173.873 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -61.05 -10.07 5.45 Favored 'General case' 0 N--CA 1.469 0.499 0 N-CA-C 115.15 1.537 . . . . 25.0 115.15 -178.498 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 80.4 p -87.16 -24.52 24.45 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 121.555 -0.716 . . . . 25.0 112.381 175.324 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.9 mttm -104.58 -28.47 11.24 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-O 121.46 0.648 . . . . 25.0 109.272 -176.071 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.458 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 31.1 m170 -128.51 159.18 36.28 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.173 -1.376 . . . . 25.0 110.464 -171.394 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -126.69 154.91 43.47 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 123.217 0.607 . . . . 25.0 109.472 -176.002 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 42.7 tp -116.03 131.22 57.0 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.025 -0.732 . . . . 25.0 109.025 -176.906 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 23.3 m-85 -118.5 142.07 47.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.506 -0.316 . . . . 25.0 110.668 -178.052 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -139.03 136.19 35.03 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 105.917 -1.883 . . . . 25.0 105.917 176.189 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 51.56 34.99 13.49 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-O 121.285 0.564 . . . . 25.0 111.522 -179.312 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 60.3 mtp 65.53 14.0 9.22 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 115.578 1.696 . . . . 25.0 115.578 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -121.95 163.45 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.71 -0.848 . . . . 25.0 108.71 176.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 71.6 mt -82.12 126.38 39.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.52 0.676 . . . . 25.0 112.384 -174.579 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 60.6 mt -84.99 100.34 11.6 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 107.478 -1.305 . . . . 25.0 107.478 170.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -58.09 120.54 8.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.329 -0.85 . . . . 25.0 109.034 178.895 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.1 m -67.59 -7.04 23.09 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 114.355 1.242 . . . . 25.0 114.355 -175.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 23.7 t30 -97.08 -0.67 46.73 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 116.522 -0.308 . . . . 25.0 111.802 -179.898 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 87.9 mtt-85 -71.28 136.93 48.17 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 108.659 -0.867 . . . . 25.0 108.659 176.237 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 64.8 p -109.1 25.91 11.24 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.991 -0.744 . . . . 25.0 108.991 176.88 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -80.29 170.1 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.287 -0.87 . . . . 25.0 109.196 -179.274 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 65.6 m -96.05 158.96 15.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.875 -1.528 . . . . 25.0 106.875 177.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.0 mt -59.49 -33.21 71.05 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.781 0.324 . . . . 25.0 111.368 -178.735 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.4 tttt -58.74 -36.21 73.96 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.205 0.817 . . . . 25.0 113.205 177.11 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -71.37 -26.43 62.8 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.985 0.421 . . . . 25.0 110.716 -178.954 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 54.1 mt -82.02 -13.1 57.86 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.178 -0.675 . . . . 25.0 109.178 -178.063 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 86.41 5.73 81.91 Favored Glycine 0 CA--C 1.512 -0.113 0 CA-C-N 115.891 -0.595 . . . . 25.0 113.695 174.815 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.0 pp -83.72 146.8 28.0 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 122.484 -0.421 . . . . 25.0 111.957 -177.508 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.565 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 19.2 ptmt -147.48 -179.82 7.14 Favored 'General case' 0 C--O 1.208 -1.113 0 CA-C-N 115.959 -0.564 . . . . 25.0 110.51 -173.237 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 5.8 t -59.07 -10.64 2.78 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 117.071 2.249 . . . . 25.0 117.071 -178.648 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.565 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 87.8 m-20 -98.32 -0.2 44.31 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-O 121.151 0.501 . . . . 25.0 110.902 -178.95 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.18 170.75 9.29 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.245 1.202 . . . . 25.0 114.245 -175.159 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.5 tt -142.71 130.76 21.85 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 115.481 -0.781 . . . . 25.0 109.062 -179.719 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -100.04 146.59 26.57 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.758 -0.656 . . . . 25.0 110.016 -177.801 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 85.3 mt -117.19 133.3 56.15 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.063 0.458 . . . . 25.0 111.864 177.82 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 17.5 mm -98.05 118.81 45.18 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 N-CA-C 108.458 -0.942 . . . . 25.0 108.458 177.831 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 6.5 ttt85 -119.2 178.0 4.68 Favored 'General case' 0 C--O 1.213 -0.84 0 N-CA-C 107.833 -1.173 . . . . 25.0 107.833 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.458 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -107.29 146.19 16.12 Favored Glycine 0 N--CA 1.448 -0.512 0 N-CA-C 111.451 -0.66 . . . . 25.0 111.451 177.612 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 68.9 mmtt -80.58 -48.66 12.38 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 107.689 -1.226 . . . . 25.0 107.689 174.773 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.42 -36.55 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 112.992 -1.913 . . . . 25.0 107.578 -177.174 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 15.7 m -60.01 114.18 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.034 -0.53 . . . . 25.0 109.838 176.647 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -126.45 89.36 2.99 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.784 0.802 . . . . 25.0 109.323 -179.459 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.206 -1.201 0 CA-C-O 123.82 1.772 . . . . 25.0 112.388 -176.218 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 80.5 t60 . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 124.791 2.234 . . . . 25.0 112.466 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 30.0 pt -141.86 163.47 19.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 112.442 -2.163 . . . . 25.0 107.131 178.44 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -73.31 157.84 36.25 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.283 -1.006 . . . . 25.0 108.283 175.849 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 165.42 -155.06 26.17 Favored Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.027 -1.229 . . . . 25.0 110.027 -177.69 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 69.2 mtm-85 -80.04 36.97 0.36 Allowed 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 112.792 0.664 . . . . 25.0 112.792 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 1.3 t-160 -143.82 137.37 27.93 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 103.332 -2.84 . . . . 25.0 103.332 176.3 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.2 ptt? -149.07 158.81 44.47 Favored 'General case' 0 C--N 1.317 -0.811 0 O-C-N 123.575 0.547 . . . . 25.0 109.551 -169.404 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -106.03 132.11 52.51 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 179.411 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.0 mp -118.0 140.79 49.24 Favored 'General case' 0 CA--C 1.497 -1.085 0 N-CA-C 106.661 -1.607 . . . . 25.0 106.661 175.494 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 24.3 m -110.45 140.61 44.53 Favored 'General case' 0 C--N 1.314 -0.944 0 N-CA-C 108.018 -1.105 . . . . 25.0 108.018 177.508 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.436 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 19.9 mm -112.88 128.46 69.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 N-CA-C 109.312 -0.625 . . . . 25.0 109.312 -175.709 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 42.6 t -122.56 113.11 18.84 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.376 0.607 . . . . 25.0 111.656 -177.818 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.454 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 1.4 t-20 -77.43 107.0 9.55 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 113.58 0.955 . . . . 25.0 113.58 179.335 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -72.06 -22.05 61.43 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.042 0.448 . . . . 25.0 110.95 -179.344 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.19 -40.13 38.57 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.788 0.662 . . . . 25.0 112.788 -177.608 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.5 p -109.92 -18.25 13.44 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.29 0.848 . . . . 25.0 113.29 -172.47 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.13 1.88 86.2 Favored Glycine 0 CA--C 1.518 0.264 0 N-CA-C 112.19 -0.364 . . . . 25.0 112.19 -178.637 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -78.16 140.07 38.98 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.221 0.534 . . . . 25.0 111.404 -178.757 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.3 mm -104.9 123.04 58.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 105.662 -1.977 . . . . 25.0 105.662 174.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.436 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 50.2 m-85 -100.62 176.74 5.22 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.101 -1.074 . . . . 25.0 108.101 -178.39 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -66.33 148.37 50.71 Favored Glycine 0 CA--C 1.495 -1.203 0 N-CA-C 119.998 2.759 . . . . 25.0 119.998 -166.097 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -73.67 118.61 5.53 Favored 'Trans proline' 0 CA--C 1.503 -1.07 1 C-N-CA 111.609 -5.127 . . . . 25.0 109.351 159.933 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 27.7 pt -104.28 133.78 47.39 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.498 0 CA-C-N 111.424 -2.626 . . . . 25.0 112.292 -176.285 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.07 105.43 17.16 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.307 -1.315 . . . . 25.0 109.789 -176.097 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.7 m -123.45 171.05 12.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.056 -0.974 . . . . 25.0 110.424 -177.333 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 m -111.05 150.42 29.36 Favored 'General case' 0 C--O 1.211 -0.95 0 CA-C-O 120.875 0.369 . . . . 25.0 110.083 179.251 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -59.63 -31.87 69.92 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 122.003 0.906 . . . . 25.0 110.718 175.192 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -86.07 4.13 39.47 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.244 -0.889 . . . . 25.0 111.113 -173.872 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 17.1 ttt -76.77 144.64 39.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.604 -1.258 . . . . 25.0 107.604 177.446 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.406 ' HA ' ' HA ' ' A' ' 159' ' ' SER . . . -79.66 156.16 27.73 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.835 -0.802 . . . . 25.0 108.835 177.494 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 39.0 tp -60.51 -37.64 81.79 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.216 -0.661 . . . . 25.0 109.216 175.401 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 24.4 p -62.45 -32.97 73.92 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.429 -0.351 . . . . 25.0 111.069 179.096 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 -75.99 -38.37 57.47 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.814 -0.81 . . . . 25.0 108.814 -178.974 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 46.5 tp -59.99 -50.94 71.78 Favored 'General case' 0 C--O 1.221 -0.427 0 N-CA-C 109.047 -0.723 . . . . 25.0 109.047 175.33 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 84.1 mt -62.94 -31.41 52.38 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.468 0 O-C-N 121.972 -0.455 . . . . 25.0 111.057 179.414 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.433 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -57.53 -41.32 80.69 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 120.29 -0.564 . . . . 25.0 109.758 176.393 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.5 tt -68.69 -44.0 74.91 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.034 -0.358 . . . . 25.0 110.034 175.37 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.07 -33.8 75.09 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.233 0.457 . . . . 25.0 112.233 -177.36 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.6 mt-30 -67.45 -36.25 80.81 Favored 'General case' 0 C--N 1.322 -0.607 0 O-C-N 122.34 -0.225 . . . . 25.0 110.944 176.383 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.06 -44.96 21.1 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 113.308 0.855 . . . . 25.0 113.308 -178.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -95.29 -57.53 2.39 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.341 0.867 . . . . 25.0 113.341 -173.782 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 38.5 m -81.16 -3.34 51.83 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 112.939 0.718 . . . . 25.0 112.939 -174.747 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.73 24.69 69.94 Favored Glycine 0 C--O 1.238 0.375 0 C-N-CA 121.451 -0.404 . . . . 25.0 112.542 -179.076 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -80.99 109.0 15.16 Favored 'General case' 0 C--O 1.209 -1.071 0 N-CA-C 107.273 -1.38 . . . . 25.0 107.273 -177.37 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 59.3 t0 -86.81 115.0 23.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 106.136 -1.801 . . . . 25.0 106.136 175.395 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -66.16 -13.28 59.94 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 113.669 0.989 . . . . 25.0 113.669 -172.709 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -98.63 -17.72 18.47 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.274 -0.421 . . . . 25.0 112.047 -179.106 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 49.0 mttp -103.27 -24.02 13.56 Favored 'General case' 0 CA--C 1.508 -0.637 0 CA-C-O 120.921 0.391 . . . . 25.0 110.434 176.97 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.423 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 55.7 m170 -126.72 162.96 24.56 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.737 -0.665 . . . . 25.0 110.634 -172.069 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 36.5 m-20 -121.61 145.04 48.38 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.643 -0.873 . . . . 25.0 108.643 -179.563 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 56.4 tp -102.09 133.74 46.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.43 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 31.6 m-85 -118.93 137.99 53.09 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 120.668 0.271 . . . . 25.0 110.862 -177.641 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -135.46 132.19 37.09 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 106.083 -1.821 . . . . 25.0 106.083 177.457 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 14.5 t30 54.6 30.29 12.94 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-O 121.911 0.862 . . . . 25.0 109.749 -174.579 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 42.6 mtp 59.51 18.32 6.84 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 115.031 1.493 . . . . 25.0 115.031 -177.324 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.7 t0 -110.07 162.33 14.67 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 106.684 -1.598 . . . . 25.0 106.684 171.922 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 58.6 mt -82.81 122.63 37.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-O 121.258 0.551 . . . . 25.0 111.788 -174.401 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.2 mt -87.4 120.84 29.1 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 105.039 -2.208 . . . . 25.0 105.039 168.464 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.02 127.57 32.99 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 104.825 -2.287 . . . . 25.0 104.825 178.5 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 88.9 p -72.61 0.34 10.84 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 113.404 0.89 . . . . 25.0 113.404 -172.748 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 62.3 m-80 -107.76 -0.61 21.6 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 113.005 0.743 . . . . 25.0 113.005 179.092 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -66.72 140.54 57.88 Favored 'General case' 0 N--CA 1.471 0.588 0 N-CA-C 108.084 -1.08 . . . . 25.0 108.084 177.655 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 67.8 p -106.57 26.43 9.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.228 0.537 . . . . 25.0 109.818 179.246 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -76.87 166.73 22.95 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.644 -0.707 . . . . 25.0 109.284 179.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . 0.406 ' HA ' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m -93.55 158.59 15.63 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 106.436 -1.69 . . . . 25.0 106.436 176.905 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 79.6 mt -63.0 -29.18 70.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.899 0.857 . . . . 25.0 109.645 179.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 44.0 tttt -56.11 -37.91 70.05 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.665 1.186 . . . . 25.0 113.883 174.146 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.91 -24.31 52.5 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.985 -0.552 . . . . 25.0 110.864 -177.842 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 58.2 mt -83.57 -14.29 52.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 107.7 -1.222 . . . . 25.0 107.7 -179.227 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.86 18.2 73.21 Favored Glycine 0 CA--C 1.509 -0.322 0 CA-C-N 115.25 -0.886 . . . . 25.0 112.422 174.901 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.9 pp -88.96 156.45 18.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.229 0.538 . . . . 25.0 112.091 -177.369 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.3 ptpt -147.51 -173.83 4.37 Favored 'General case' 0 C--O 1.206 -1.199 0 CA-C-N 115.018 -0.992 . . . . 25.0 110.922 -165.829 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.3 t -68.81 -4.31 15.68 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 116.398 1.999 . . . . 25.0 116.398 -177.931 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -103.34 5.41 37.26 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.375 -0.972 . . . . 25.0 108.375 178.817 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -79.2 151.75 31.05 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 122.372 1.082 . . . . 25.0 113.297 -175.758 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.4 tt -140.61 123.14 16.09 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.325 -1.307 . . . . 25.0 107.94 177.616 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -98.06 142.76 29.37 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.867 -0.79 . . . . 25.0 108.867 -176.415 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 60.2 mt -108.93 147.41 32.25 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.733 -0.84 . . . . 25.0 108.733 179.03 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.454 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 24.0 mm -117.69 119.33 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 N-CA-C 109.431 -0.581 . . . . 25.0 109.431 -178.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -123.98 173.05 8.49 Favored 'General case' 0 C--O 1.217 -0.644 0 N-CA-C 108.55 -0.908 . . . . 25.0 108.55 178.311 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.423 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -125.2 140.54 12.4 Favored Glycine 0 CA--C 1.509 -0.315 0 C-N-CA 121.116 -0.564 . . . . 25.0 114.254 -175.175 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -107.04 -29.73 9.23 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.389 0.614 . . . . 25.0 110.319 176.776 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 61.8 mt -126.15 86.56 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 N-CA-C 106.356 -1.72 . . . . 25.0 106.356 176.247 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 21.9 m -141.19 158.52 43.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.232 -1.396 . . . . 25.0 107.232 -177.148 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 60.5 t30 52.08 42.25 30.4 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 122.141 0.972 . . . . 25.0 112.318 -178.186 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 23.9 t . . . . . 0 C--O 1.209 -1.066 0 CA-C-O 124.669 2.176 . . . . 25.0 112.446 179.409 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.2 m80 . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 113.57 0.952 . . . . 25.0 113.57 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.3 mm -119.62 117.74 54.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 N-CA-C 106.0 -1.852 . . . . 25.0 106.0 178.13 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -138.97 160.44 39.76 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.816 -0.439 . . . . 25.0 109.816 -176.076 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 106.43 176.51 23.34 Favored Glycine 0 C--O 1.223 -0.568 0 N-CA-C 114.054 0.381 . . . . 25.0 114.054 176.78 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 62.6 mtp180 -130.12 38.97 3.73 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 122.182 0.991 . . . . 25.0 109.515 -179.403 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -122.28 149.02 44.29 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.132 -2.544 . . . . 25.0 104.132 177.486 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 7.7 ptt? -138.29 148.01 44.22 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 107.862 -1.162 . . . . 25.0 107.862 -179.535 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -103.92 112.55 25.57 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.687 -0.857 . . . . 25.0 108.687 -173.65 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -111.95 128.09 56.06 Favored 'General case' 0 CA--C 1.496 -1.131 0 CA-C-O 121.498 0.666 . . . . 25.0 109.29 -179.126 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 33.4 m -88.67 138.97 30.94 Favored 'General case' 0 C--N 1.311 -1.069 0 N-CA-C 107.033 -1.469 . . . . 25.0 107.033 179.17 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.462 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 6.5 mm -114.73 142.52 27.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 106.615 -1.624 . . . . 25.0 106.615 -179.658 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 41.4 t -141.15 134.36 29.48 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-O 121.458 0.647 . . . . 25.0 112.617 178.259 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.462 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 0.9 OUTLIER -79.77 104.02 10.07 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-O 121.434 0.635 . . . . 25.0 110.536 175.038 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . 0.523 ' CD ' ' HE ' ' A' ' 174' ' ' ARG . 6.2 tm-20 -66.08 -22.25 66.4 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.622 -0.717 . . . . 25.0 110.474 -177.999 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 94.5 mt -77.25 -37.61 52.78 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.978 1.103 . . . . 25.0 113.978 -179.367 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.8 p -113.04 -14.16 13.0 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -172.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.83 1.02 87.36 Favored Glycine 0 CA--C 1.52 0.403 0 CA-C-N 116.242 -0.436 . . . . 25.0 113.043 -177.546 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 48.3 mm-40 -69.46 148.6 49.32 Favored 'General case' 0 C--O 1.239 0.525 0 N-CA-C 112.635 0.605 . . . . 25.0 112.635 -178.699 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.0 mm -117.27 122.52 70.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 107.941 -1.133 . . . . 25.0 107.941 179.362 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 96.5 m-85 -94.48 177.04 6.07 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.472 -1.307 . . . . 25.0 107.472 177.1 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.73 150.02 50.14 Favored Glycine 0 CA--C 1.494 -1.25 0 N-CA-C 116.869 1.508 . . . . 25.0 116.869 -178.093 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -72.28 119.9 6.44 Favored 'Trans proline' 0 CA--C 1.501 -1.135 1 C-N-CA 110.835 -5.643 . . . . 25.0 108.472 159.869 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 32.1 pt -102.15 144.58 13.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 112.16 -2.291 . . . . 25.0 111.08 -175.904 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -86.93 105.21 16.93 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 113.848 -1.524 . . . . 25.0 109.539 -174.751 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.6 m -122.59 163.32 21.3 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.639 -0.71 . . . . 25.0 109.395 179.418 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.1 t -105.15 151.31 24.19 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.472 -0.331 . . . . 25.0 110.998 -177.856 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -60.66 -26.22 66.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.351 0.595 . . . . 25.0 111.4 176.503 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 -94.17 2.39 55.95 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.536 -0.757 . . . . 25.0 111.738 -175.84 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.6 ttt -71.24 138.83 49.76 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.956 -1.128 . . . . 25.0 107.956 179.23 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.39 150.34 36.81 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.082 -1.081 . . . . 25.0 108.082 178.332 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.37 -37.35 80.46 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.983 0.42 . . . . 25.0 110.239 176.68 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 12.9 p -62.37 -35.85 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 110.177 -0.305 . . . . 25.0 110.177 178.981 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -75.89 -37.27 59.01 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 109.29 -0.633 . . . . 25.0 109.29 -178.397 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 66.5 tp -60.28 -50.35 73.99 Favored 'General case' 0 C--O 1.219 -0.543 0 N-CA-C 109.131 -0.692 . . . . 25.0 109.131 174.827 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.58 -32.55 58.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 121.649 -0.657 . . . . 25.0 110.708 179.531 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.406 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -59.09 -42.47 90.53 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 121.778 -0.576 . . . . 25.0 109.919 175.801 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.1 tt -66.96 -43.73 82.37 Favored 'General case' 0 C--O 1.221 -0.4 0 N-CA-C 109.785 -0.45 . . . . 25.0 109.785 176.396 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.19 -33.85 76.38 Favored 'General case' 0 C--O 1.218 -0.57 0 N-CA-C 111.999 0.37 . . . . 25.0 111.999 -178.208 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.406 HE21 ' HA ' ' A' ' 130' ' ' ALA . 30.7 mt-30 -67.13 -35.59 80.06 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 122.181 -0.325 . . . . 25.0 111.069 175.864 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.44 20.16 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 112.82 0.674 . . . . 25.0 112.82 -178.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -93.1 -57.96 2.47 Favored 'General case' 0 N--CA 1.47 0.538 0 N-CA-C 113.401 0.889 . . . . 25.0 113.401 -174.189 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 77.6 m -78.9 -8.53 58.94 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 112.269 0.47 . . . . 25.0 112.269 -176.268 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.26 29.51 75.03 Favored Glycine 0 C--O 1.237 0.303 0 N-CA-C 110.734 -0.946 . . . . 25.0 110.734 -177.195 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -76.04 104.34 6.53 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 121.604 -0.939 . . . . 25.0 109.262 -176.698 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -72.38 97.25 2.01 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.181 -0.674 . . . . 25.0 109.181 173.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -63.86 -8.12 10.06 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 120.275 1.398 . . . . 25.0 113.204 -179.523 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 5.6 t -100.84 -10.59 20.57 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 114.064 1.135 . . . . 25.0 114.064 179.147 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 20.0 mtpt -123.42 -8.42 8.07 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-O 121.642 0.734 . . . . 25.0 109.659 177.7 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -135.99 164.04 28.89 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.299 -1.0 . . . . 25.0 108.299 -176.633 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -120.22 151.02 39.74 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 107.555 -1.276 . . . . 25.0 107.555 177.903 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 55.6 tp -103.21 130.24 50.37 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 105.28 -2.119 . . . . 25.0 105.28 176.323 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -118.01 138.09 52.44 Favored 'General case' 0 C--N 1.319 -0.725 0 N-CA-C 111.913 0.338 . . . . 25.0 111.913 -175.859 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -142.85 140.01 31.1 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 105.533 -2.025 . . . . 25.0 105.533 173.817 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 55.33 29.92 13.87 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-O 121.703 0.763 . . . . 25.0 110.773 -176.974 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 61.8 mtp 62.69 18.67 10.79 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.446 1.647 . . . . 25.0 115.446 -178.95 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -125.37 164.5 20.27 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.342 -0.614 . . . . 25.0 109.342 174.3 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 64.0 mt -78.31 127.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 123.162 0.585 . . . . 25.0 112.003 -175.359 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 75.1 mt -85.41 114.3 22.36 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.046 -1.094 . . . . 25.0 108.046 171.31 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -69.8 114.98 8.51 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.463 0.649 . . . . 25.0 110.968 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 85.1 p -65.27 -7.1 11.61 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 115.41 1.633 . . . . 25.0 115.41 -178.78 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -81.97 -23.71 35.91 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.906 0.384 . . . . 25.0 110.542 176.479 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -77.79 134.41 38.03 Favored 'General case' 0 C--O 1.22 -0.476 0 N-CA-C 109.685 -0.487 . . . . 25.0 109.685 -177.565 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 10.2 t -110.17 32.03 5.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.717 0.77 . . . . 25.0 110.074 -176.597 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -72.93 166.85 22.22 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.871 -0.789 . . . . 25.0 108.871 179.847 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 9.8 m -86.78 156.8 19.77 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 105.837 -1.912 . . . . 25.0 105.837 -178.448 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.1 mt -59.73 -32.22 70.35 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 121.052 0.453 . . . . 25.0 111.435 -178.277 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 59.7 pttt -69.27 -24.0 63.92 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 113.781 1.03 . . . . 25.0 113.781 179.45 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -77.02 -25.89 53.14 Favored 'General case' 0 CA--C 1.512 -0.516 0 N-CA-C 109.341 -0.615 . . . . 25.0 109.341 178.072 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 62.4 mt -82.67 -17.98 42.6 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 107.382 -1.34 . . . . 25.0 107.382 -179.447 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 89.52 23.15 34.68 Favored Glycine 0 CA--C 1.506 -0.525 0 CA-C-N 115.006 -0.997 . . . . 25.0 113.044 171.427 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 1.4 pp -95.74 147.55 23.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.152 0.501 . . . . 25.0 112.3 -178.74 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 33.0 pttt -132.3 178.07 7.1 Favored 'General case' 0 C--O 1.21 -0.977 0 C-N-CA 124.323 1.049 . . . . 25.0 110.888 -170.005 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 7.2 t -69.57 0.6 5.1 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 114.744 1.387 . . . . 25.0 114.744 178.73 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -122.79 27.29 7.81 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 106.225 -1.768 . . . . 25.0 106.225 -173.106 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -119.38 168.27 11.1 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 114.492 -1.231 . . . . 25.0 112.392 176.416 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.1 tt -136.54 137.53 40.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.192 -0.913 . . . . 25.0 109.045 178.43 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -101.53 142.14 33.35 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 109.192 -0.67 . . . . 25.0 109.192 179.047 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 82.5 mt -112.28 150.03 31.53 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.499 -179.243 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.462 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 22.4 mm -112.83 113.86 45.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 N-CA-C 108.216 -1.031 . . . . 25.0 108.216 178.102 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . 0.523 ' HE ' ' CD ' ' A' ' 108' ' ' GLU . 0.8 OUTLIER -102.07 177.85 4.77 Favored 'General case' 0 CA--C 1.504 -0.789 0 CA-C-O 120.833 0.349 . . . . 25.0 110.225 179.454 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -114.87 133.89 11.3 Favored Glycine 0 C--N 1.319 -0.389 0 N-CA-C 110.785 -0.926 . . . . 25.0 110.785 176.969 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 32.4 mttp -70.28 153.78 42.66 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.799 -0.815 . . . . 25.0 108.799 176.762 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 87.1 mt -60.42 125.82 17.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 106.481 -1.674 . . . . 25.0 106.481 176.404 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 48.5 m -138.68 158.45 44.21 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.833 -0.803 . . . . 25.0 108.833 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 55.7 t30 -150.71 145.71 25.97 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.355 -1.35 . . . . 25.0 107.355 178.892 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 5.1 m . . . . . 0 C--O 1.208 -1.086 0 CA-C-O 124.025 1.869 . . . . 25.0 113.69 179.309 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 124.613 2.149 . . . . 25.0 112.57 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 1.2 mt 63.16 22.65 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 112.161 -2.29 . . . . 25.0 108.941 -179.23 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -135.36 133.82 39.14 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 106.091 -1.818 . . . . 25.0 106.091 177.777 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -71.79 0.05 38.58 Favored Glycine 0 C--O 1.22 -0.723 0 C-N-CA 120.828 -0.701 . . . . 25.0 114.559 -178.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -68.38 -24.44 64.78 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 122.174 -0.603 . . . . 25.0 111.283 179.244 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -150.4 151.88 33.48 Favored 'General case' 0 CA--C 1.511 -0.545 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 -178.066 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -133.9 146.27 50.39 Favored 'General case' 0 C--N 1.315 -0.913 0 N-CA-C 106.052 -1.833 . . . . 25.0 106.052 176.533 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -106.91 111.61 24.19 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 107.839 -1.171 . . . . 25.0 107.839 -171.065 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.25 127.15 55.3 Favored 'General case' 0 CA--C 1.502 -0.891 0 CA-C-O 120.938 0.399 . . . . 25.0 110.368 -174.157 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.8 m -89.31 142.17 27.89 Favored 'General case' 0 C--N 1.315 -0.919 0 N-CA-C 108.347 -0.982 . . . . 25.0 108.347 -179.747 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.419 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 24.3 mm -116.34 130.08 71.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.201 -0.666 . . . . 25.0 109.201 -176.363 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 44.1 t -118.96 120.92 38.69 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.819 0.342 . . . . 25.0 111.553 -179.745 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.436 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 14.0 m-20 -87.56 95.15 9.93 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.368 0.604 . . . . 25.0 109.598 177.271 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -63.32 -16.36 60.15 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.643 0.735 . . . . 25.0 111.099 179.48 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 42.0 mt -77.67 -31.54 52.6 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 113.651 0.982 . . . . 25.0 113.651 179.542 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.5 p -122.57 -19.34 6.36 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 113.012 0.745 . . . . 25.0 113.012 -170.238 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 87.31 1.82 83.57 Favored Glycine 0 CA--C 1.519 0.298 0 N-CA-C 111.811 -0.516 . . . . 25.0 111.811 -176.402 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -77.47 145.13 37.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 25.0 110.517 179.405 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 48.6 mm -114.95 123.58 70.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 105.795 -1.928 . . . . 25.0 105.795 174.17 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.419 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 44.1 m-85 -100.66 171.28 7.8 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 -179.351 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.32 155.32 53.45 Favored Glycine 0 CA--C 1.499 -0.961 0 N-CA-C 118.554 2.182 . . . . 25.0 118.554 -166.852 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_endo -70.85 114.59 3.93 Favored 'Trans proline' 0 CA--C 1.505 -0.932 0 C-N-CA 113.36 -3.96 . . . . 25.0 110.223 160.126 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.7 pt -98.77 132.79 43.35 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 CA-C-N 112.485 -2.143 . . . . 25.0 108.99 -177.591 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.03 104.98 16.83 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 122.496 1.141 . . . . 25.0 110.158 -176.59 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.3 m -122.46 165.54 18.26 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.789 0 CA-C-N 114.997 -1.001 . . . . 25.0 108.688 -176.824 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.67 151.89 20.69 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 121.838 -0.539 . . . . 25.0 109.988 -179.194 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -70.17 -20.74 63.12 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.013 0.435 . . . . 25.0 111.45 179.434 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 20.5 t0 -88.74 1.02 55.91 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.802 0.81 . . . . 25.0 111.212 -179.709 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.7 ttt -70.29 142.08 52.3 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 107.83 -1.174 . . . . 25.0 107.83 179.018 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.38 151.33 38.2 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.531 -0.915 . . . . 25.0 108.531 177.658 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 51.3 tp -59.99 -38.23 81.95 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.601 -0.518 . . . . 25.0 109.601 176.132 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 13.9 p -61.44 -36.37 80.2 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 122.289 -0.257 . . . . 25.0 110.731 179.41 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.98 -37.36 58.62 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.222 -0.659 . . . . 25.0 109.222 -177.233 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 58.1 tp -60.9 -48.88 79.79 Favored 'General case' 0 C--O 1.223 -0.298 0 N-CA-C 108.821 -0.807 . . . . 25.0 108.821 174.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.13 -38.68 80.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.804 0 C-N-CA 120.624 -0.43 . . . . 25.0 110.256 178.737 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.31 74.87 Favored 'General case' 0 C--N 1.321 -0.673 0 C-N-CA 120.602 -0.439 . . . . 25.0 110.659 179.407 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.4 tt -67.91 -44.42 76.97 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.679 0.276 . . . . 25.0 110.347 176.211 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.51 -29.23 70.53 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.403 0.52 . . . . 25.0 112.403 -177.694 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 29.0 mt-30 -70.74 -34.93 72.39 Favored 'General case' 0 C--N 1.319 -0.739 0 O-C-N 122.158 -0.339 . . . . 25.0 110.387 177.24 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.97 -41.87 28.16 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 112.133 0.42 . . . . 25.0 112.133 -179.877 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -94.23 -58.01 2.35 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.632 0.975 . . . . 25.0 113.632 -174.091 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 72.6 m -86.05 5.41 33.7 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 114.612 1.338 . . . . 25.0 114.612 -174.826 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 67.18 24.68 73.42 Favored Glycine 0 C--O 1.241 0.541 0 C-N-CA 120.706 -0.759 . . . . 25.0 113.673 179.456 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -66.54 145.76 55.27 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 121.587 -0.949 . . . . 25.0 110.232 177.7 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -126.31 110.23 13.15 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 105.782 -1.932 . . . . 25.0 105.782 176.06 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -67.88 -9.12 42.2 Favored 'General case' 0 N--CA 1.474 0.764 0 CA-C-N 121.103 1.774 . . . . 25.0 111.912 178.353 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 24.6 p -92.75 -32.28 14.75 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 113.783 1.031 . . . . 25.0 113.783 176.515 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 13.2 mtpt -115.35 -11.3 11.91 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 112.957 0.725 . . . . 25.0 112.957 -174.573 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.432 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 33.2 m170 -129.75 163.38 26.31 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 109.768 -0.456 . . . . 25.0 109.768 -177.267 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -129.63 145.47 51.5 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 107.709 -1.219 . . . . 25.0 107.709 176.872 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.7 mt -90.06 144.01 26.28 Favored 'General case' 0 CA--C 1.508 -0.649 0 N-CA-C 106.248 -1.76 . . . . 25.0 106.248 176.118 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -127.27 139.55 52.83 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.509 -0.552 . . . . 25.0 109.509 178.748 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -143.94 135.73 26.23 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 106.837 -1.542 . . . . 25.0 106.837 177.686 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 11.3 t30 50.34 38.27 17.41 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 121.653 0.74 . . . . 25.0 110.915 -176.771 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 58.8 mtp 62.83 13.56 6.63 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 116.078 1.881 . . . . 25.0 116.078 -179.897 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 40.4 t0 -120.5 165.57 14.8 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.958 -1.127 . . . . 25.0 107.958 176.512 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 62.9 mt -86.7 128.32 39.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 112.753 0.649 . . . . 25.0 112.753 -174.025 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.26 108.62 19.03 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 106.62 -1.622 . . . . 25.0 106.62 169.979 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -65.91 116.47 7.09 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.823 0.821 . . . . 25.0 109.674 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 16.3 m -65.53 -6.93 12.14 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 114.801 1.408 . . . . 25.0 114.801 -177.457 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -91.57 -4.25 55.55 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.077 0.399 . . . . 25.0 112.077 178.223 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -86.59 147.36 25.96 Favored 'General case' 0 N--CA 1.469 0.524 0 O-C-N 121.832 -0.542 . . . . 25.0 110.878 -179.423 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 71.4 p -112.82 29.7 7.75 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.638 -0.71 . . . . 25.0 110.624 -178.438 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.02 166.0 22.28 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 108.968 -0.753 . . . . 25.0 108.968 179.232 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 60.2 m -93.95 157.24 16.2 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 106.475 -1.676 . . . . 25.0 106.475 175.543 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 38.6 mt -62.16 -29.32 70.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.902 0.382 . . . . 25.0 111.261 -177.264 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -57.77 -39.53 77.65 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 112.69 0.626 . . . . 25.0 112.69 175.483 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -73.02 -24.28 60.72 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.276 0.56 . . . . 25.0 110.749 -177.637 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 55.6 mt -81.04 -11.93 59.43 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.765 -0.652 . . . . 25.0 109.985 179.186 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 87.58 12.81 66.29 Favored Glycine 0 C--N 1.327 0.074 0 CA-C-N 115.95 -0.568 . . . . 25.0 113.052 177.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.3 146.62 50.44 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.648 0.737 . . . . 25.0 111.951 -177.695 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 20.2 pttm -148.68 174.61 11.98 Favored 'General case' 0 C--O 1.211 -0.944 0 N-CA-C 107.294 -1.373 . . . . 25.0 107.294 -175.722 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.7 t -73.62 -4.49 34.49 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.499 0.666 . . . . 25.0 112.49 179.398 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 19.9 t0 -106.59 20.69 18.62 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.185 -0.916 . . . . 25.0 108.997 -176.348 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -115.41 164.27 14.52 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-O 121.876 0.846 . . . . 25.0 113.189 179.905 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 9.4 tt -138.64 138.01 37.43 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 107.599 -1.26 . . . . 25.0 107.599 178.257 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -104.44 145.84 29.7 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.041 -0.355 . . . . 25.0 110.041 -177.927 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 89.0 mt -111.0 148.74 31.88 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.93 -0.767 . . . . 25.0 108.93 178.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 1.7 mm -124.21 122.05 63.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -178.821 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 1.2 mtt85 -125.87 175.35 7.72 Favored 'General case' 0 CA--C 1.508 -0.66 0 CA-C-N 116.749 -0.205 . . . . 25.0 110.749 179.467 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.432 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -114.78 147.81 18.88 Favored Glycine 0 CA--C 1.502 -0.722 0 N-CA-C 111.389 -0.685 . . . . 25.0 111.389 -176.341 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 15.8 pttt -119.04 147.35 44.21 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.704 -0.48 . . . . 25.0 109.704 175.362 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 73.6 mt -90.67 -60.01 2.6 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.485 0 N-CA-C 108.575 -0.898 . . . . 25.0 108.575 -179.051 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 53.57 20.26 2.05 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 115.339 1.607 . . . . 25.0 115.339 177.084 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -92.26 94.43 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.749 0.785 . . . . 25.0 110.397 -178.912 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.213 -0.818 0 CA-C-O 124.726 2.203 . . . . 25.0 112.16 178.447 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 27.7 m80 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 124.109 1.909 . . . . 25.0 113.365 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -120.32 131.28 73.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 113.137 -1.847 . . . . 25.0 107.754 -178.567 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.07 173.84 11.14 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 106.745 -1.576 . . . . 25.0 106.745 177.735 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 112.93 -24.75 12.42 Favored Glycine 0 C--O 1.226 -0.354 0 N-CA-C 108.856 -1.698 . . . . 25.0 108.856 -176.517 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 88.2 mtt-85 49.76 44.77 24.95 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 113.671 0.989 . . . . 25.0 113.671 171.231 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.48 148.29 23.89 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.423 -0.955 . . . . 25.0 108.423 175.764 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.0 ptt? -140.15 151.15 45.04 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 105.841 -1.911 . . . . 25.0 105.841 177.551 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -102.73 111.75 24.22 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 108.918 -0.771 . . . . 25.0 108.918 -176.59 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -107.8 135.07 49.82 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 107.732 -1.21 . . . . 25.0 107.732 178.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 23.9 m -96.51 143.52 27.44 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 108.174 -1.047 . . . . 25.0 108.174 -179.451 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 34.7 mm -116.07 140.39 38.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.087 -1.449 . . . . 25.0 107.087 -178.294 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 48.2 t -141.39 138.7 33.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.38 0.61 . . . . 25.0 110.716 176.291 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.78 114.33 26.68 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 116.219 -0.446 . . . . 25.0 111.957 -179.414 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.99 -21.29 61.59 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.19 0.519 . . . . 25.0 109.651 177.665 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.01 -37.81 64.27 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.89 0.7 . . . . 25.0 112.89 -178.615 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.9 p -114.59 -15.75 11.95 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 113.251 0.834 . . . . 25.0 113.251 -172.855 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.39 0.42 89.41 Favored Glycine 0 CA--C 1.519 0.307 0 CA-C-N 116.292 -0.413 . . . . 25.0 112.347 -177.017 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -77.38 153.44 33.71 Favored 'General case' 0 C--O 1.241 0.611 0 N-CA-C 113.495 0.924 . . . . 25.0 113.495 -175.953 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 45.6 mm -107.19 129.78 60.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 N-CA-C 106.932 -1.507 . . . . 25.0 106.932 177.558 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -109.78 174.21 5.97 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 106.576 -1.638 . . . . 25.0 106.576 179.484 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -67.99 145.65 45.17 Favored Glycine 0 CA--C 1.496 -1.104 0 N-CA-C 118.797 2.279 . . . . 25.0 118.797 -167.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -73.33 118.58 5.57 Favored 'Trans proline' 0 CA--C 1.502 -1.119 1 C-N-CA 111.294 -5.337 . . . . 25.0 108.88 160.023 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -103.27 142.99 16.04 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 111.416 -2.629 . . . . 25.0 111.754 -175.036 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -87.08 105.08 16.92 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 113.944 -1.48 . . . . 25.0 108.918 -176.698 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 18.3 m -127.15 165.65 25.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.372 -0.831 . . . . 25.0 109.262 -178.942 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.9 t -104.36 151.05 23.94 Favored 'General case' 0 C--O 1.216 -0.71 0 O-C-N 122.157 -0.339 . . . . 25.0 111.42 -178.179 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -61.45 -30.45 70.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.341 0.591 . . . . 25.0 111.682 177.337 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -92.79 3.01 56.44 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.277 0.561 . . . . 25.0 111.279 -174.219 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.2 ttt -67.37 143.86 56.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 107.319 -1.363 . . . . 25.0 107.319 176.971 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -75.66 155.42 35.8 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.056 -0.72 . . . . 25.0 109.056 178.766 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -58.6 -41.57 86.12 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.843 -0.799 . . . . 25.0 108.843 175.408 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.1 p -65.96 -31.44 72.36 Favored 'General case' 0 C--N 1.321 -0.647 0 C-N-CA 120.724 -0.39 . . . . 25.0 111.277 -178.904 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -75.73 -36.92 59.8 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.602 . . . . 25.0 109.373 -176.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 54.6 tp -58.65 -49.55 77.11 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 108.317 -0.994 . . . . 25.0 108.317 174.269 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.9 mt -64.17 -35.73 74.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.891 0 C-N-CA 120.863 -0.335 . . . . 25.0 110.392 -179.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.1 -40.44 70.46 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.626 -0.43 . . . . 25.0 110.615 177.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 8.8 tt -68.54 -43.15 77.28 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 110.145 -0.316 . . . . 25.0 110.145 175.48 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.52 -29.66 70.72 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 111.655 0.243 . . . . 25.0 111.655 -179.042 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 28.5 mt-30 -71.81 -34.04 69.02 Favored 'General case' 0 C--N 1.32 -0.676 0 O-C-N 122.077 -0.389 . . . . 25.0 110.778 178.134 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.95 -42.09 27.71 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 112.193 0.442 . . . . 25.0 112.193 179.48 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -95.65 -58.04 2.22 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.827 1.047 . . . . 25.0 113.827 -174.473 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 67.4 m -81.52 0.53 37.61 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 114.219 1.192 . . . . 25.0 114.219 -174.287 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.54 21.69 78.71 Favored Glycine 0 C--O 1.237 0.333 0 C-N-CA 120.974 -0.632 . . . . 25.0 113.195 179.413 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 49.9 t80 -67.68 140.97 56.81 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 122.118 -0.636 . . . . 25.0 109.864 178.72 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -132.14 113.61 13.52 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 105.387 -2.079 . . . . 25.0 105.387 172.078 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -63.01 -10.01 12.27 Favored 'General case' 0 N--CA 1.469 0.477 0 N-CA-C 114.122 1.156 . . . . 25.0 114.122 -176.801 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 59.6 p -87.37 -31.47 20.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.797 0.665 . . . . 25.0 112.797 173.808 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 48.0 mttp -101.73 -22.88 14.31 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-O 120.928 0.394 . . . . 25.0 111.767 -174.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.3 m170 -128.33 162.83 26.15 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.313 -0.858 . . . . 25.0 111.761 -169.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -126.63 145.81 50.42 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 107.706 -1.22 . . . . 25.0 107.706 178.629 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 59.5 tp -98.09 132.0 44.01 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 105.506 -2.035 . . . . 25.0 105.506 176.575 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -117.61 140.15 50.03 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.24 0.543 . . . . 25.0 111.171 -176.645 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -143.03 134.64 26.46 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 107.069 -1.456 . . . . 25.0 107.069 177.052 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 13.1 t30 54.35 30.86 13.34 Favored 'General case' 0 N--CA 1.476 0.846 0 CA-C-O 121.863 0.839 . . . . 25.0 109.869 -174.587 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 51.2 mtp 59.59 17.99 6.67 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 114.894 1.442 . . . . 25.0 114.894 -177.425 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 43.8 t0 -114.38 164.72 13.55 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 107.167 -1.42 . . . . 25.0 107.167 173.649 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -83.09 123.86 39.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.866 0.841 . . . . 25.0 112.125 -175.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 65.7 mt -86.56 105.14 16.63 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 104.945 -2.243 . . . . 25.0 104.945 167.245 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -58.81 127.74 33.71 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 106.786 -1.561 . . . . 25.0 106.786 178.426 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 52.2 p -72.33 0.6 9.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.224 0.824 . . . . 25.0 113.224 -173.303 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -108.9 1.88 21.09 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.218 0.451 . . . . 25.0 112.218 178.512 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 -60.53 128.99 39.37 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.009 -1.108 . . . . 25.0 108.009 176.69 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.7 p -96.88 25.64 5.17 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.21 0.529 . . . . 25.0 109.611 177.772 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -84.57 167.73 16.03 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.492 -0.776 . . . . 25.0 109.048 -178.53 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 73.8 m -96.65 160.09 14.57 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 107.739 -1.208 . . . . 25.0 107.739 174.894 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 49.4 mt -59.82 -28.99 67.95 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.623 0.725 . . . . 25.0 110.488 179.761 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -55.98 -43.31 77.49 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 114.658 -1.155 . . . . 25.0 112.491 177.241 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -71.31 -28.86 64.4 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.373 -0.83 . . . . 25.0 111.176 -178.612 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 47.9 mt -78.74 -13.21 59.94 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.74 -0.664 . . . . 25.0 110.355 -178.186 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 84.01 21.26 57.71 Favored Glycine 0 CA--C 1.514 -0.021 0 CA-C-N 115.87 -0.605 . . . . 25.0 112.886 177.069 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 64.1 mt -74.89 154.05 38.37 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.992 0.425 . . . . 25.0 110.935 -179.334 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 8.5 ptpp? -152.94 171.37 18.44 Favored 'General case' 0 C--O 1.212 -0.904 0 N-CA-C 108.609 -0.885 . . . . 25.0 108.609 -173.019 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.2 t -71.85 -5.43 34.31 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 121.854 0.835 . . . . 25.0 113.137 -178.308 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -99.66 10.51 41.22 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 115.326 -0.852 . . . . 25.0 109.885 -177.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.14 162.0 15.0 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 117.322 2.341 . . . . 25.0 117.322 -168.301 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.7 tt -137.78 137.49 38.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.618 -1.174 . . . . 25.0 111.085 -177.463 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -110.46 144.68 38.91 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.02 -0.536 . . . . 25.0 109.922 -178.74 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 59.5 mt -110.01 146.91 34.5 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.29 -0.414 . . . . 25.0 110.736 -177.785 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 21.0 mm -115.49 123.15 70.68 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 108.757 -0.831 . . . . 25.0 108.757 -179.216 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 73.5 mtt180 -124.21 172.99 8.63 Favored 'General case' 0 CA--C 1.503 -0.844 0 CA-C-O 121.306 0.574 . . . . 25.0 110.212 177.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -97.5 148.43 18.95 Favored Glycine 0 N--CA 1.441 -1.022 0 N-CA-C 106.444 -2.662 . . . . 25.0 106.444 176.441 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 13.5 mmtp -59.54 126.23 26.78 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 121.187 0.517 . . . . 25.0 111.495 -179.924 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 81.6 mt -80.97 113.5 20.5 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 N-CA-C 107.19 -1.411 . . . . 25.0 107.19 176.73 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.1 t 53.16 50.6 17.39 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 113.192 0.812 . . . . 25.0 113.192 178.296 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -51.61 114.01 1.14 Allowed 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 121.229 0.538 . . . . 25.0 111.972 -180.0 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 29.2 m . . . . . 0 C--O 1.208 -1.117 0 CA-C-O 124.401 2.048 . . . . 25.0 112.421 -177.392 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 123.874 1.797 . . . . 25.0 113.331 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 51.2 mm -86.07 108.71 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.332 0 N-CA-C 106.541 -1.651 . . . . 25.0 106.541 177.807 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 mt-10 -84.85 168.9 14.66 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.893 -1.049 . . . . 25.0 113.483 -170.512 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.0 -68.6 3.5 Favored Glycine 0 C--O 1.226 -0.365 0 N-CA-C 109.881 -1.288 . . . . 25.0 109.881 -176.763 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 3.4 mmt180 -68.91 -20.9 64.24 Favored 'General case' 0 C--O 1.239 0.51 0 CA-C-O 120.982 0.42 . . . . 25.0 110.698 177.321 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.99 136.21 50.02 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 104.265 -2.494 . . . . 25.0 104.265 169.074 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -136.34 152.12 50.32 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 106.904 -1.517 . . . . 25.0 106.904 -178.239 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -107.64 118.31 36.39 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 107.313 -1.366 . . . . 25.0 107.313 -173.954 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' O ' ' HA ' ' A' ' 116' ' ' PRO . 36.0 mt -107.21 125.94 51.77 Favored 'General case' 0 CA--C 1.496 -1.099 0 N-CA-C 109.383 -0.599 . . . . 25.0 109.383 -178.354 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 19.3 m -91.27 133.81 35.1 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-O 121.324 0.583 . . . . 25.0 109.526 -177.303 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.5 mm -115.12 136.23 52.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 N-CA-C 108.103 -1.073 . . . . 25.0 108.103 -174.154 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 69.3 m -141.11 139.56 34.01 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.436 0.636 . . . . 25.0 112.292 178.275 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -85.45 115.36 23.13 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 113.377 0.88 . . . . 25.0 113.377 -179.194 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -71.91 -23.2 61.44 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.94 -0.573 . . . . 25.0 110.853 179.436 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 80.3 mt -85.34 -43.61 13.53 Favored 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.082 0.771 . . . . 25.0 113.082 -176.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 33.7 p -102.36 -15.62 16.49 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.428 0.529 . . . . 25.0 112.428 -172.874 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 82.79 -3.23 84.2 Favored Glycine 0 C--O 1.227 -0.301 0 CA-C-N 116.251 -0.431 . . . . 25.0 112.574 -177.309 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -72.14 149.85 44.36 Favored 'General case' 0 CA--C 1.514 -0.441 0 CA-C-O 121.654 0.74 . . . . 25.0 112.088 -177.739 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 40.5 mm -112.21 123.16 67.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 108.16 -1.052 . . . . 25.0 108.16 -178.863 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -97.58 173.3 7.22 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 106.899 -1.519 . . . . 25.0 106.899 177.042 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -76.05 155.58 46.25 Favored Glycine 0 CA--C 1.493 -1.294 0 N-CA-C 116.931 1.532 . . . . 25.0 116.931 -170.344 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . 0.401 ' HA ' ' O ' ' A' ' 103' ' ' LEU . 7.4 Cg_exo -70.12 114.82 3.89 Favored 'Trans proline' 0 N--CA 1.455 -0.776 1 C-N-CA 112.316 -4.656 . . . . 25.0 108.746 159.942 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.1 pt -94.67 132.67 38.03 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 114.235 -1.348 . . . . 25.0 109.299 -177.456 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -87.03 105.98 17.53 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 123.208 1.48 . . . . 25.0 110.479 -173.649 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 28.9 m -122.63 169.17 14.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 113.912 -1.495 . . . . 25.0 109.971 -175.018 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.6 m -107.98 152.28 24.68 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.922 0.712 . . . . 25.0 112.922 -176.537 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -55.21 -31.44 61.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 113.787 1.032 . . . . 25.0 113.787 178.638 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -101.46 8.2 42.17 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 122.123 -0.361 . . . . 25.0 111.858 -175.054 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.8 ttt -67.03 143.0 57.01 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 105.797 -1.927 . . . . 25.0 105.797 175.353 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -76.8 155.7 32.88 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.731 -0.841 . . . . 25.0 108.731 179.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.76 -41.2 86.01 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 108.323 -0.991 . . . . 25.0 108.323 175.266 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 21.8 p -65.67 -31.63 72.75 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.849 -0.614 . . . . 25.0 111.185 -178.677 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -75.97 -37.27 58.76 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.132 -0.692 . . . . 25.0 109.132 -176.811 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.9 tp -58.92 -46.52 87.75 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.457 -0.942 . . . . 25.0 108.457 175.636 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 89.0 mt -68.5 -35.52 70.78 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 C-N-CA 120.507 -0.477 . . . . 25.0 110.096 -179.506 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.83 -40.92 76.93 Favored 'General case' 0 C--N 1.322 -0.587 0 O-C-N 121.783 -0.573 . . . . 25.0 110.376 177.256 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.4 tt -66.71 -44.93 80.3 Favored 'General case' 0 C--N 1.328 -0.37 0 N-CA-C 109.59 -0.522 . . . . 25.0 109.59 176.435 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -63.13 -31.56 72.73 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 112.111 0.412 . . . . 25.0 112.111 -178.245 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -73.42 -34.02 65.25 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 122.254 -0.279 . . . . 25.0 110.677 177.799 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.02 -39.05 43.31 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.466 0.543 . . . . 25.0 112.466 -179.148 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -103.72 -57.63 2.01 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 113.735 1.013 . . . . 25.0 113.735 -174.523 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 79.3 m -80.99 3.65 22.27 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 114.522 1.305 . . . . 25.0 114.522 -175.261 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.99 19.56 77.2 Favored Glycine 0 CA--C 1.519 0.296 0 N-CA-C 114.566 0.586 . . . . 25.0 114.566 177.806 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -65.25 145.94 55.58 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 122.048 -0.678 . . . . 25.0 109.235 177.358 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -136.47 114.52 11.43 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 105.561 -2.014 . . . . 25.0 105.561 176.479 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 13.3 ptmm? -63.63 -8.68 10.63 Favored 'General case' 0 N--CA 1.472 0.647 0 N-CA-C 116.347 1.98 . . . . 25.0 116.347 -172.651 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 2.9 t -115.0 -13.27 11.91 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 113.641 0.978 . . . . 25.0 113.641 178.069 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -103.06 -19.66 14.47 Favored 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 109.269 -0.641 . . . . 25.0 109.269 174.868 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -133.81 162.2 32.66 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.88 -0.6 . . . . 25.0 111.389 -173.354 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -131.11 149.3 52.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 108.037 -1.097 . . . . 25.0 108.037 -179.654 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.12 134.11 52.52 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.747 -0.834 . . . . 25.0 108.747 -178.233 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 42.8 m-85 -118.7 138.45 52.63 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.157 0.503 . . . . 25.0 111.611 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -145.01 139.9 27.78 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 105.584 -2.006 . . . . 25.0 105.584 174.076 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 52.71 34.03 15.22 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.594 0.559 . . . . 25.0 111.395 -178.471 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 65.2 mtp 65.21 11.23 7.05 Favored 'General case' 0 N--CA 1.48 1.059 0 N-CA-C 115.642 1.719 . . . . 25.0 115.642 -179.892 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 44.0 t0 -120.04 163.71 17.24 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.712 -0.847 . . . . 25.0 108.712 176.972 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 72.0 mt -83.56 128.12 39.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 121.391 0.615 . . . . 25.0 110.303 -177.775 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 83.9 mt -82.0 99.37 9.09 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.212 -1.033 . . . . 25.0 108.212 174.145 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -60.18 116.27 4.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.492 0.663 . . . . 25.0 109.893 177.691 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 32.1 t -69.81 -7.2 37.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.602 -1.181 . . . . 25.0 113.857 -176.323 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 79.1 m-20 -90.62 -2.28 57.86 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.787 0.327 . . . . 25.0 111.444 -178.553 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 84.7 mtm180 -89.43 131.86 35.28 Favored 'General case' 0 C--O 1.217 -0.62 0 CA-C-O 120.712 0.291 . . . . 25.0 110.397 179.394 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 65.4 p -99.23 31.91 2.91 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.036 0.446 . . . . 25.0 111.135 -179.216 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -74.7 167.12 22.43 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.597 -0.89 . . . . 25.0 108.597 179.408 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 66.5 m -94.75 159.0 15.26 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 108.04 -1.096 . . . . 25.0 108.04 176.879 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 43.4 mt -61.19 -29.03 69.56 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.155 0.502 . . . . 25.0 111.409 -178.834 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 23.7 ttmt -58.74 -38.77 79.14 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 123.601 0.761 . . . . 25.0 112.748 175.159 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -72.19 -28.66 63.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.43 0.633 . . . . 25.0 110.37 -178.155 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.5 mt -78.98 -11.24 60.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.407 -0.815 . . . . 25.0 109.815 -179.698 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 79.42 26.38 57.24 Favored Glycine 0 N--CA 1.452 -0.251 0 CA-C-N 115.609 -0.723 . . . . 25.0 112.212 176.856 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.05 146.86 37.06 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.0 0.37 . . . . 25.0 112.0 -178.343 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -142.67 173.42 11.56 Favored 'General case' 0 C--O 1.213 -0.828 0 N-CA-C 108.171 -1.048 . . . . 25.0 108.171 -179.836 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 8.3 t -70.38 -2.73 14.58 Favored 'General case' 0 N--CA 1.476 0.846 0 N-CA-C 114.903 1.446 . . . . 25.0 114.903 -178.721 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -101.46 5.51 42.02 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.619 0.723 . . . . 25.0 109.861 -175.84 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -91.55 147.93 22.66 Favored 'General case' 0 C--O 1.239 0.552 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -173.72 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 61.1 tp -120.25 130.9 54.71 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 113.776 -1.556 . . . . 25.0 107.84 175.232 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 8.3 mp -121.76 145.32 48.16 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.268 -0.641 . . . . 25.0 109.268 -178.126 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 87.8 mt -114.04 144.63 42.81 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 113.398 0.888 . . . . 25.0 113.398 -173.306 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.99 120.05 58.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.701 -0.851 . . . . 25.0 108.701 -179.445 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 7.2 mtt180 -119.64 177.18 5.04 Favored 'General case' 0 C--O 1.217 -0.651 0 N-CA-C 110.116 -0.327 . . . . 25.0 110.116 -179.713 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -109.87 145.89 17.02 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.925 -0.87 . . . . 25.0 110.925 -178.697 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -75.1 137.65 41.56 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 106.933 -1.506 . . . . 25.0 106.933 175.107 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 91.0 mt -72.28 126.4 32.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 104.852 -2.277 . . . . 25.0 104.852 173.377 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 47.6 t -135.99 148.38 48.41 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.135 -0.691 . . . . 25.0 109.135 -178.855 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -114.52 15.69 17.77 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.76 0.79 . . . . 25.0 109.805 -179.264 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 123.851 1.786 . . . . 25.0 112.07 -178.219 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 . . . . . 0 N--CA 1.484 1.243 0 CA-C-O 122.639 1.209 . . . . 25.0 113.839 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 45.2 pt -128.17 165.77 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.084 0 N-CA-C 107.726 -1.212 . . . . 25.0 107.726 176.753 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 161.63 27.82 Favored 'General case' 0 C--O 1.241 0.641 0 N-CA-C 109.186 -0.672 . . . . 25.0 109.186 176.1 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.23 166.42 54.58 Favored Glycine 0 C--O 1.238 0.374 0 N-CA-C 111.991 -0.444 . . . . 25.0 111.991 179.093 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 11.3 mmt180 -119.88 164.45 16.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 122.002 0.906 . . . . 25.0 113.204 -176.052 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -102.34 152.59 20.9 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 106.447 -1.686 . . . . 25.0 106.447 176.065 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 9.7 ptt? -146.12 154.49 41.87 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.084 -1.451 . . . . 25.0 107.084 179.287 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -106.13 113.14 26.5 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 109.318 -0.623 . . . . 25.0 109.318 -176.569 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.4 mp -108.38 134.76 50.74 Favored 'General case' 0 CA--C 1.498 -1.04 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.806 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 22.0 m -97.15 142.01 29.58 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.369 -0.832 . . . . 25.0 108.91 -177.971 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 29.8 mm -116.18 133.56 62.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 107.991 -1.115 . . . . 25.0 107.991 -177.16 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 62.4 m -134.48 137.29 43.81 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.149 0.5 . . . . 25.0 111.039 179.034 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.43 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 3.0 m120 -95.66 101.97 13.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.209 0.528 . . . . 25.0 111.585 -177.247 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.91 -21.94 65.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.669 -0.696 . . . . 25.0 111.686 178.251 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 58.5 mt -78.78 -36.22 43.26 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.937 1.088 . . . . 25.0 113.937 -177.987 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.0 p -113.85 -18.69 11.74 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 112.719 0.637 . . . . 25.0 112.719 -171.182 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 86.1 -1.38 87.7 Favored Glycine 0 C--O 1.227 -0.302 0 N-CA-C 111.754 -0.538 . . . . 25.0 111.754 -176.356 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -77.8 156.2 30.65 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.997 0.427 . . . . 25.0 110.921 -178.983 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 38.1 mm -121.19 129.47 75.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 N-CA-C 107.5 -1.296 . . . . 25.0 107.5 179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -101.01 177.01 5.07 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 107.63 -1.248 . . . . 25.0 107.63 178.298 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -73.64 151.95 45.4 Favored Glycine 0 CA--C 1.493 -1.302 0 N-CA-C 118.584 2.194 . . . . 25.0 118.584 -170.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -73.14 118.56 5.59 Favored 'Trans proline' 0 CA--C 1.502 -1.111 1 C-N-CA 111.351 -5.299 . . . . 25.0 108.654 159.939 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.2 pt -101.34 139.64 22.05 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 CA-C-N 111.701 -2.499 . . . . 25.0 111.214 -176.104 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.15 105.47 17.21 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.116 -1.402 . . . . 25.0 109.043 -175.863 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 17.9 m -124.77 163.79 24.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 114.937 -1.029 . . . . 25.0 109.347 -178.225 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.9 t -100.11 150.31 22.62 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 122.047 -0.408 . . . . 25.0 111.045 -177.904 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -63.12 -27.76 69.61 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.86 0.362 . . . . 25.0 111.767 179.446 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -100.12 10.71 40.85 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.384 0.611 . . . . 25.0 111.827 -176.556 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.5 ttt -67.26 141.31 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 106.025 -1.843 . . . . 25.0 106.025 174.348 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -71.74 151.03 43.9 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.239 -1.023 . . . . 25.0 108.239 179.502 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -58.01 -41.71 83.7 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.974 -0.75 . . . . 25.0 108.974 176.407 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.6 p -64.39 -34.61 78.57 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 115.876 -0.602 . . . . 25.0 111.088 -178.67 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.81 -35.82 59.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.806 0.336 . . . . 25.0 110.179 -176.962 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 55.1 tp -58.24 -47.35 83.81 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 108.52 -0.918 . . . . 25.0 108.52 174.041 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 83.5 mt -68.12 -34.83 68.83 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 C-N-CA 120.147 -0.621 . . . . 25.0 109.939 -179.479 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.16 77.88 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 121.735 -0.603 . . . . 25.0 110.616 177.885 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.8 tt -66.42 -44.68 82.27 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.292 -0.632 . . . . 25.0 109.292 176.222 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.39 -31.44 72.64 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 111.982 0.364 . . . . 25.0 111.982 -178.459 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -70.61 -35.13 72.8 Favored 'General case' 0 C--N 1.319 -0.729 0 O-C-N 122.205 -0.309 . . . . 25.0 110.766 176.412 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -78.88 -42.78 26.42 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.582 0.586 . . . . 25.0 112.582 -177.7 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -96.31 -57.86 2.22 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 113.039 0.755 . . . . 25.0 113.039 -175.055 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.5 m -80.01 -3.91 50.41 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 113.723 1.009 . . . . 25.0 113.723 -175.575 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 70.54 22.83 77.94 Favored Glycine 0 C--O 1.237 0.336 0 C-N-CA 121.159 -0.544 . . . . 25.0 113.274 179.114 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -66.26 140.83 58.16 Favored 'General case' 0 C--O 1.213 -0.825 0 N-CA-C 108.718 -0.845 . . . . 25.0 108.718 178.596 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -132.4 104.69 6.85 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.048 -1.464 . . . . 25.0 107.048 176.031 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -61.05 -11.15 7.42 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.365 1.617 . . . . 25.0 115.365 -176.015 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 64.1 p -86.26 -24.3 26.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 113.594 0.961 . . . . 25.0 113.594 175.459 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -114.41 -22.12 10.02 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-O 121.691 0.758 . . . . 25.0 110.12 -174.877 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.408 ' HA ' ' HA2' ' A' ' 175' ' ' GLY . 29.2 m170 -129.01 160.74 31.77 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 114.336 -1.302 . . . . 25.0 109.015 -174.563 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.13 156.69 45.92 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 108.74 -0.837 . . . . 25.0 108.74 -175.467 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -115.22 135.02 54.61 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.37 -0.604 . . . . 25.0 109.37 -178.637 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 34.1 m-85 -123.07 140.02 53.46 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.271 0.557 . . . . 25.0 111.197 -178.192 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -142.49 130.62 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 106.597 -1.631 . . . . 25.0 106.597 176.697 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 54.85 29.77 12.58 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-O 121.198 0.523 . . . . 25.0 110.857 -177.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 62.8 mtp 64.25 15.76 9.62 Favored 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 114.396 1.258 . . . . 25.0 114.396 -177.855 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -106.61 165.06 11.57 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 105.966 -1.865 . . . . 25.0 105.966 172.341 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 60.3 mt -91.83 129.64 42.19 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.787 0 N-CA-C 109.035 -0.728 . . . . 25.0 109.035 -179.535 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.61 95.64 8.94 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.05 -1.093 . . . . 25.0 108.05 174.514 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -58.41 120.91 9.63 Favored 'General case' 0 CA--C 1.51 -0.586 0 N-CA-C 108.791 -0.818 . . . . 25.0 108.791 177.782 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 73.9 p -66.09 -6.13 12.14 Favored 'General case' 0 C--N 1.316 -0.875 0 C-N-CA 123.388 0.675 . . . . 25.0 112.738 -179.667 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -87.94 -16.9 32.57 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.44 0.533 . . . . 25.0 112.44 176.816 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 88.2 mtt180 -66.08 128.04 34.5 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 107.065 -1.457 . . . . 25.0 107.065 179.066 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 8.8 t -106.11 25.03 11.49 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.989 0.9 . . . . 25.0 108.812 -178.499 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -79.92 169.33 18.05 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.1 -0.955 . . . . 25.0 108.463 -179.835 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 70.2 m -97.29 159.34 14.97 Favored 'General case' 0 CA--C 1.504 -0.819 0 N-CA-C 107.896 -1.149 . . . . 25.0 107.896 176.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 22.1 mt -57.72 -32.55 67.52 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 112.563 0.579 . . . . 25.0 112.563 -173.765 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.51 -24.82 65.61 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 113.823 1.046 . . . . 25.0 113.823 179.984 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -77.04 -28.45 54.81 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 121.582 0.706 . . . . 25.0 109.664 177.733 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 43.9 mt -82.11 -10.21 59.27 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.031 -0.986 . . . . 25.0 109.768 -179.421 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 83.64 19.41 61.87 Favored Glycine 0 C--O 1.236 0.251 0 CA-C-N 115.546 -0.752 . . . . 25.0 112.214 177.741 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 74.5 mt -73.89 145.47 44.78 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.955 -0.387 . . . . 25.0 109.955 -179.62 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' A' ' 168' ' ' ASP . 0.1 OUTLIER -148.37 169.41 20.24 Favored 'General case' 0 C--O 1.213 -0.845 0 CA-C-N 115.761 -0.654 . . . . 25.0 109.566 -173.621 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 9.7 t -67.63 -1.36 5.02 Favored 'General case' 0 N--CA 1.479 1.005 0 N-CA-C 115.259 1.577 . . . . 25.0 115.259 -179.101 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' A' ' 166' ' ' LYS . 18.6 t0 -102.5 0.94 34.41 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.876 0.845 . . . . 25.0 109.247 -177.796 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 -87.08 153.12 21.77 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 116.702 2.112 . . . . 25.0 116.702 -175.438 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.8 tt -132.41 131.52 41.87 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 112.986 -1.915 . . . . 25.0 107.261 174.822 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -109.78 147.89 32.43 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.172 -0.677 . . . . 25.0 109.172 -173.343 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 56.2 mt -115.43 137.05 52.45 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 112.718 0.636 . . . . 25.0 112.718 -176.265 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.43 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 18.0 mm -105.67 116.8 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 N-CA-C 108.582 -0.896 . . . . 25.0 108.582 -179.45 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 15.8 ttt85 -119.89 177.77 4.85 Favored 'General case' 0 C--O 1.215 -0.723 0 N-CA-C 108.434 -0.95 . . . . 25.0 108.434 -176.216 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 143' ' ' HIS . . . -109.37 141.85 16.13 Favored Glycine 0 C--O 1.223 -0.56 0 N-CA-C 111.371 -0.692 . . . . 25.0 111.371 -178.843 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -72.94 -42.04 63.87 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 122.248 1.023 . . . . 25.0 108.588 175.526 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 2.6 mp -115.56 -28.79 2.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 113.388 -1.733 . . . . 25.0 109.244 -176.917 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 45.5 t -80.08 92.39 5.62 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.26 -0.427 . . . . 25.0 110.776 179.431 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -137.73 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.781 -0.822 . . . . 25.0 108.781 176.436 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.208 -1.084 0 CA-C-O 124.008 1.861 . . . . 25.0 114.088 -179.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 122.792 1.282 . . . . 25.0 114.029 . . . . . . . . . 0 0 . 1 . 041 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 2.4 mp 58.03 52.34 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 106.878 -1.527 . . . . 25.0 106.878 -177.788 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.6 pp20? -74.33 163.34 27.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 113.905 -1.498 . . . . 25.0 108.367 178.411 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -105.11 -24.46 7.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 118.347 2.099 . . . . 25.0 118.347 -175.411 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 19.4 ptt180 -166.6 39.04 0.05 OUTLIER 'General case' 0 N--CA 1.482 1.126 0 CA-C-N 118.297 1.048 . . . . 25.0 113.007 -177.428 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -114.17 153.11 30.14 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.153 -1.055 . . . . 25.0 108.153 179.675 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 10.4 ptt? -149.27 149.74 31.42 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 116.075 -0.512 . . . . 25.0 109.703 -179.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -100.29 114.95 28.81 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.378 -0.828 . . . . 25.0 109.402 -177.055 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 mp -107.07 134.05 50.79 Favored 'General case' 0 CA--C 1.496 -1.114 0 N-CA-C 108.353 -0.98 . . . . 25.0 108.353 177.758 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 28.9 m -103.1 137.77 40.83 Favored 'General case' 0 C--N 1.315 -0.894 0 N-CA-C 107.775 -1.194 . . . . 25.0 107.775 178.711 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.435 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 20.1 mm -116.53 134.95 58.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 108.361 -0.977 . . . . 25.0 108.361 -173.798 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 29.9 t -132.84 136.14 46.07 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.23 0.538 . . . . 25.0 110.975 179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -94.56 102.3 14.22 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.052 0.453 . . . . 25.0 109.927 -179.066 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.58 -23.36 62.85 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.743 0.783 . . . . 25.0 111.325 179.942 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.16 -36.68 29.89 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 114.993 1.479 . . . . 25.0 114.993 -177.306 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.7 p -113.03 -17.05 12.53 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.771 0.656 . . . . 25.0 112.771 -171.64 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 84.62 -0.16 89.23 Favored Glycine 0 C--O 1.228 -0.276 0 CA-C-N 116.275 -0.421 . . . . 25.0 112.188 -176.682 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -73.16 150.09 42.44 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.036 0.446 . . . . 25.0 111.582 -179.675 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 43.8 mm -119.76 122.16 67.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 107.369 -1.345 . . . . 25.0 107.369 178.232 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.435 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 30.5 m-85 -97.77 170.79 8.74 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 107.829 -1.174 . . . . 25.0 107.829 178.054 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -70.83 154.34 52.13 Favored Glycine 0 CA--C 1.496 -1.153 0 N-CA-C 119.798 2.679 . . . . 25.0 119.798 -169.402 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -71.59 120.81 7.17 Favored 'Trans proline' 0 CA--C 1.507 -0.853 1 C-N-CA 113.009 -4.194 . . . . 25.0 109.907 159.978 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 28.7 pt -108.76 139.27 32.0 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 112.334 -2.212 . . . . 25.0 112.068 -177.554 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -83.22 106.83 15.33 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.988 -1.005 . . . . 25.0 109.149 -178.494 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 26.9 m -121.46 169.93 12.18 Favored 'Isoleucine or valine' 0 CA--C 1.505 -0.774 0 N-CA-C 106.795 -1.558 . . . . 25.0 106.795 178.859 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.2 t -109.36 152.76 24.88 Favored 'General case' 0 N--CA 1.443 -0.824 0 O-C-N 122.169 -0.332 . . . . 25.0 110.409 -179.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 26.1 pt-20 -63.09 -23.88 67.64 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.652 0.739 . . . . 25.0 109.622 173.621 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.38 -1.85 58.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.998 -1.001 . . . . 25.0 111.944 -175.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 15.1 ttt -74.82 141.06 44.33 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 107.203 -1.406 . . . . 25.0 107.203 -179.985 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.55 152.21 39.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.201 -1.037 . . . . 25.0 108.201 177.542 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -58.76 -40.23 83.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.812 -0.81 . . . . 25.0 108.812 175.648 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.1 p -66.2 -32.72 74.32 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.328 -0.396 . . . . 25.0 111.095 -179.198 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -75.96 -35.31 59.73 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.496 -0.557 . . . . 25.0 109.496 -177.697 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.14 -46.54 89.32 Favored 'General case' 0 C--O 1.221 -0.418 0 N-CA-C 108.246 -1.02 . . . . 25.0 108.246 174.378 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 88.9 mt -62.76 -40.15 87.53 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.614 0 C-N-CA 120.259 -0.576 . . . . 25.0 109.959 178.929 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.29 -42.27 77.26 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 121.981 -0.449 . . . . 25.0 110.802 179.461 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 61.5 tp -66.84 -44.97 79.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.909 0.385 . . . . 25.0 110.331 177.27 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.1 mt -66.06 -30.35 70.86 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.628 0.603 . . . . 25.0 112.628 -177.61 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -72.64 -36.01 67.9 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.881 -0.512 . . . . 25.0 110.679 176.536 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.72 -41.19 54.2 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.226 0.454 . . . . 25.0 112.226 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -99.97 -51.23 3.75 Favored 'General case' 0 N--CA 1.468 0.468 0 N-CA-C 113.47 0.915 . . . . 25.0 113.47 -172.886 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 65.9 m -87.13 -0.52 56.8 Favored 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 113.279 0.844 . . . . 25.0 113.279 -178.018 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 66.94 25.71 73.21 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.819 -0.705 . . . . 25.0 113.233 179.46 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -63.57 144.83 56.68 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 106.969 -1.493 . . . . 25.0 106.969 176.303 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -132.63 87.08 2.38 Favored 'General case' 0 C--N 1.32 -0.702 0 O-C-N 121.856 -0.527 . . . . 25.0 109.823 -176.39 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -64.03 -4.72 3.69 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 114.545 1.313 . . . . 25.0 114.545 -169.306 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 62.3 p -82.28 -30.57 30.53 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.481 -0.327 . . . . 25.0 111.366 178.253 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -129.79 -11.25 4.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.743 0.783 . . . . 25.0 112.519 -170.892 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -123.86 162.56 23.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 107.702 -1.221 . . . . 25.0 107.702 -179.775 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -130.17 155.76 45.7 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.444 -0.947 . . . . 25.0 108.444 -177.965 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 mt -107.85 140.91 40.24 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 107.621 -1.252 . . . . 25.0 107.621 178.769 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -122.26 139.54 53.67 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.921 -0.4 . . . . 25.0 109.921 -178.271 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -142.12 136.06 29.69 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 106.154 -1.795 . . . . 25.0 106.154 177.861 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 12.1 t30 50.51 38.35 18.26 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.66 0.743 . . . . 25.0 111.44 -178.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 67.4 mtp 62.01 15.65 7.48 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.969 1.841 . . . . 25.0 115.969 -179.96 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -123.75 165.33 17.45 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 107.858 -1.164 . . . . 25.0 107.858 175.99 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 65.1 mt -85.45 129.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.364 0.602 . . . . 25.0 111.019 -176.001 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 57.0 mt -78.52 110.32 13.51 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.51 -1.293 . . . . 25.0 107.51 173.402 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -66.78 121.57 15.75 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 107.872 -1.159 . . . . 25.0 107.872 176.799 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 38.2 t -66.44 -7.1 17.28 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 115.245 1.572 . . . . 25.0 115.245 -171.331 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -99.53 0.3 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.765 0.654 . . . . 25.0 112.765 -175.598 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 23.0 mtp85 -73.4 113.65 10.73 Favored 'General case' 0 C--O 1.213 -0.822 0 O-C-N 122.287 -0.258 . . . . 25.0 111.073 -178.369 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.36 31.07 0.67 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.256 0.55 . . . . 25.0 112.38 177.028 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.04 168.51 18.57 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.189 -1.041 . . . . 25.0 108.189 179.506 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 49.8 m -95.25 158.58 15.4 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 106.389 -1.708 . . . . 25.0 106.389 175.613 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 78.8 mt -60.22 -32.28 70.97 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.901 0.381 . . . . 25.0 110.974 -178.26 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 58.1 tttt -56.09 -38.53 70.82 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 113.359 0.874 . . . . 25.0 113.359 174.97 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 72.1 mt-10 -73.58 -22.65 59.99 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.073 0.463 . . . . 25.0 111.064 -177.227 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 59.7 mt -82.63 -13.24 56.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.13 -0.693 . . . . 25.0 109.13 178.945 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.5 12.23 80.66 Favored Glycine 0 CA--C 1.51 -0.262 0 CA-C-N 115.513 -0.767 . . . . 25.0 113.264 175.622 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.8 pp -86.59 161.29 18.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.109 0.481 . . . . 25.0 111.369 -178.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 29.8 pttt -151.28 -178.58 6.73 Favored 'General case' 0 C--O 1.208 -1.085 0 CA-C-N 115.099 -0.955 . . . . 25.0 111.051 -160.833 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.1 t -71.71 3.93 3.66 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 122.316 1.055 . . . . 25.0 113.215 178.108 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -122.67 24.09 9.28 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 105.712 -1.958 . . . . 25.0 105.712 -176.382 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -103.71 156.59 17.69 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.583 -1.189 . . . . 25.0 111.576 177.578 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.3 tt -144.25 124.03 13.4 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.557 -0.905 . . . . 25.0 108.557 179.492 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -101.21 143.29 31.47 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.034 -0.53 . . . . 25.0 111.022 -173.593 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 92.9 mt -113.07 135.78 53.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.195 -0.457 . . . . 25.0 111.535 179.878 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 16.0 mm -101.22 118.45 47.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 177.748 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.19 171.49 9.8 Favored 'General case' 0 C--O 1.214 -0.804 0 N-CA-C 110.412 -0.218 . . . . 25.0 110.412 -179.175 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -105.48 147.82 16.35 Favored Glycine 0 N--CA 1.448 -0.563 0 N-CA-C 110.303 -1.119 . . . . 25.0 110.303 178.677 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -121.43 -32.15 3.91 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.564 0.579 . . . . 25.0 112.564 176.613 . . . . . . . . 2 2 . 1 . 041 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 50.6 mm -105.99 96.4 4.58 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 105.037 -2.209 . . . . 25.0 105.037 176.905 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 8.0 t 58.82 -157.11 0.32 Allowed 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 107.849 -1.167 . . . . 25.0 107.849 -171.555 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 51.21 71.7 0.42 Allowed 'General case' 0 N--CA 1.47 0.542 0 CA-C-O 122.118 0.961 . . . . 25.0 111.409 179.127 . . . . . . . . 1 1 . 1 . 041 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.207 -1.162 0 CA-C-O 124.281 1.991 . . . . 25.0 113.515 -179.87 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.8 p80 . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 123.333 1.54 . . . . 25.0 114.061 . . . . . . . . . 0 0 . 1 . 042 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 3.2 mp -119.49 49.83 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.363 0 N-CA-C 105.246 -2.131 . . . . 25.0 105.246 178.712 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 54.3 -172.95 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 115.609 1.707 . . . . 25.0 115.609 -178.488 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -77.39 51.25 3.28 Favored Glycine 0 CA--C 1.52 0.357 0 CA-C-O 121.7 0.611 . . . . 25.0 113.357 -178.682 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 14.1 ptt-85 -63.1 166.31 6.1 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-O 121.518 0.675 . . . . 25.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 28.7 m170 -92.05 158.85 16.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.732 -0.667 . . . . 25.0 110.96 175.425 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 4.8 ptt? -132.77 151.71 51.93 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 103.968 -2.605 . . . . 25.0 103.968 172.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -104.13 122.9 46.28 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 109.684 -0.488 . . . . 25.0 109.684 -174.695 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 69.4 mt -113.91 130.34 56.51 Favored 'General case' 0 CA--C 1.503 -0.857 0 N-CA-C 109.852 -0.425 . . . . 25.0 109.852 178.695 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 32.1 m -99.7 136.48 39.55 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.385 -1.339 . . . . 25.0 107.385 178.983 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 114' ' ' TYR . 12.0 mm -114.25 131.0 67.54 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.555 0 N-CA-C 109.965 -0.383 . . . . 25.0 109.965 -173.839 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 55.2 m -122.31 121.0 35.7 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.413 0.625 . . . . 25.0 111.253 178.621 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.477 ' HA ' ' HB ' ' A' ' 173' ' ' ILE . 4.0 m-20 -88.48 100.88 13.4 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.218 -0.66 . . . . 25.0 109.218 -179.237 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -60.97 -24.31 66.0 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.591 0.71 . . . . 25.0 111.833 -178.303 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 91.1 mt -76.7 -35.93 57.54 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.749 1.018 . . . . 25.0 113.749 -176.348 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.5 p -109.72 -19.31 13.21 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.658 -0.701 . . . . 25.0 111.962 -171.981 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 85.74 -1.57 88.06 Favored Glycine 0 C--O 1.228 -0.24 0 N-CA-C 111.343 -0.703 . . . . 25.0 111.343 -176.345 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -78.54 151.59 32.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.258 0.551 . . . . 25.0 110.922 -179.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 83.1 mt -125.73 117.44 49.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 106.076 -1.824 . . . . 25.0 106.076 176.459 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.429 ' HB2' ' HB ' ' A' ' 105' ' ' ILE . 65.0 m-85 -89.47 170.96 10.07 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.976 -1.12 . . . . 25.0 107.976 -179.16 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -69.4 162.35 51.99 Favored Glycine 0 CA--C 1.495 -1.213 0 N-CA-C 118.107 2.003 . . . . 25.0 118.107 -168.774 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.02 116.01 4.39 Favored 'Trans proline' 0 CA--C 1.5 -1.217 1 C-N-CA 113.281 -4.013 . . . . 25.0 110.875 159.902 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 22.3 pt -99.4 130.63 48.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.415 0 CA-C-N 111.874 -2.421 . . . . 25.0 108.923 -178.967 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -86.97 105.11 16.9 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 122.604 1.192 . . . . 25.0 109.869 -175.311 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 22.8 m -121.39 163.52 19.18 Favored 'Isoleucine or valine' 0 C--O 1.21 -0.983 0 CA-C-N 114.938 -1.028 . . . . 25.0 108.868 -176.355 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.0 t -97.02 153.63 17.8 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 120.183 -0.607 . . . . 25.0 110.156 -179.375 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 -64.12 -26.66 68.64 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.586 0.708 . . . . 25.0 110.386 177.0 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -93.59 6.62 47.66 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.123 0.487 . . . . 25.0 111.834 -176.318 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 16.1 ttt -68.9 142.45 54.76 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 106.91 -1.515 . . . . 25.0 106.91 174.673 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -74.52 151.66 39.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.735 -0.839 . . . . 25.0 108.735 178.186 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -58.94 -40.63 85.25 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 108.591 -0.892 . . . . 25.0 108.591 175.658 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 31.0 p -64.9 -33.71 76.66 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.221 -0.445 . . . . 25.0 110.92 -178.84 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 66.3 m-20 -76.01 -34.99 59.71 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.612 -0.514 . . . . 25.0 109.612 -177.777 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 44.9 tp -59.85 -45.59 91.95 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 108.438 -0.949 . . . . 25.0 108.438 173.794 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 86.0 mt -64.07 -35.85 74.99 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.576 0 C-N-CA 120.588 -0.445 . . . . 25.0 110.518 178.522 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.487 ' HA ' HE21 ' A' ' 133' ' ' GLN . . . -56.13 -40.99 74.62 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 121.874 -0.516 . . . . 25.0 110.349 177.464 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 48.6 tp -70.02 -41.75 73.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.699 0.285 . . . . 25.0 110.906 176.648 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.24 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 112.121 0.415 . . . . 25.0 112.121 -179.98 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . 0.487 HE21 ' HA ' ' A' ' 130' ' ' ALA . 31.8 mt-30 -70.13 -33.4 71.77 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 122.118 -0.364 . . . . 25.0 110.368 177.549 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.78 43.45 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 112.594 0.59 . . . . 25.0 112.594 -178.205 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -103.42 -57.14 2.09 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.935 1.087 . . . . 25.0 113.935 -174.945 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 58.7 m -77.24 -0.68 26.16 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 114.401 1.26 . . . . 25.0 114.401 -174.767 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 71.27 21.74 78.53 Favored Glycine 0 C--O 1.235 0.19 0 C-N-CA 121.155 -0.545 . . . . 25.0 113.119 179.022 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -66.98 145.63 55.22 Favored 'General case' 0 C--O 1.216 -0.677 0 O-C-N 122.018 -0.695 . . . . 25.0 109.694 179.129 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -134.88 109.39 8.47 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 105.429 -2.063 . . . . 25.0 105.429 172.796 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 23.0 pttm -59.71 -13.06 8.39 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 114.542 1.312 . . . . 25.0 114.542 -177.346 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 72.8 p -90.76 -27.69 18.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 121.744 -0.598 . . . . 25.0 112.54 176.8 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -101.44 -26.58 13.53 Favored 'General case' 0 CA--C 1.508 -0.638 0 CA-C-O 120.869 0.366 . . . . 25.0 110.868 -175.362 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -131.04 162.45 29.79 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.669 -1.151 . . . . 25.0 110.983 -167.501 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -129.35 150.19 50.82 Favored 'General case' 0 C--O 1.239 0.503 0 C-N-CA 123.508 0.723 . . . . 25.0 109.062 -179.106 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.49 137.97 31.91 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 106.432 -1.692 . . . . 25.0 106.432 176.889 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -122.01 138.23 54.5 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.24 0.543 . . . . 25.0 110.162 179.691 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -145.22 132.26 20.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.061 -1.088 . . . . 25.0 108.061 178.394 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 49.87 39.38 18.21 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.522 0.677 . . . . 25.0 112.35 -179.923 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 71.5 mtp 64.63 18.12 11.24 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.131 1.53 . . . . 25.0 115.131 179.639 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -123.41 165.1 17.61 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.327 -0.99 . . . . 25.0 108.327 175.405 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 59.4 mt -92.98 129.89 42.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.103 0.478 . . . . 25.0 110.664 -177.57 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 96.8 mt -91.28 102.68 15.39 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 106.723 -1.584 . . . . 25.0 106.723 171.929 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -62.29 131.35 49.07 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.326 -0.991 . . . . 25.0 108.326 -179.409 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 71.3 p -68.09 -10.56 54.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 114.862 1.43 . . . . 25.0 114.862 -173.366 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -95.5 1.11 53.82 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.661 0.245 . . . . 25.0 111.661 -179.747 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -71.57 118.11 13.98 Favored 'General case' 0 C--O 1.216 -0.662 0 N-CA-C 107.94 -1.133 . . . . 25.0 107.94 177.706 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 62.1 p -92.09 27.6 2.11 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.118 0.485 . . . . 25.0 110.312 -179.47 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -80.35 167.6 20.03 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.731 -0.668 . . . . 25.0 109.489 -178.336 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 69.5 m -93.89 158.66 15.54 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 106.668 -1.604 . . . . 25.0 106.668 173.295 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.29 -31.65 71.48 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.447 0.642 . . . . 25.0 110.825 -179.361 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -56.42 -39.41 73.03 Favored 'General case' 0 C--N 1.322 -0.595 0 C-N-CA 124.158 0.983 . . . . 25.0 112.275 174.727 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -77.14 -18.33 57.95 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.985 0.422 . . . . 25.0 111.26 -177.449 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 69.7 mt -85.85 -14.3 45.39 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 108.097 -1.075 . . . . 25.0 108.097 177.199 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 82.84 10.69 82.72 Favored Glycine 0 N--CA 1.454 -0.144 0 CA-C-N 115.357 -0.838 . . . . 25.0 113.558 175.854 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 2.6 pp -85.91 147.47 26.24 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.238 0.542 . . . . 25.0 112.007 -176.632 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.92 178.75 6.78 Favored 'General case' 0 C--O 1.211 -0.93 0 CA-C-N 115.172 -0.922 . . . . 25.0 112.531 -168.01 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 6.6 t -66.75 2.7 1.27 Allowed 'General case' 0 N--CA 1.485 1.318 0 N-CA-C 115.57 1.693 . . . . 25.0 115.57 178.93 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 21.8 t0 -114.34 6.69 16.16 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 107.477 -1.305 . . . . 25.0 107.477 -172.513 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -104.97 153.49 21.36 Favored 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 114.868 1.432 . . . . 25.0 114.868 -176.561 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 7.2 tt -121.05 135.38 55.21 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.257 -1.386 . . . . 25.0 107.257 175.706 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -107.0 145.28 32.47 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.051 -0.722 . . . . 25.0 109.051 -176.377 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 43.2 mt -113.99 151.09 32.89 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.417 -0.356 . . . . 25.0 110.179 -176.627 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . 0.477 ' HB ' ' HA ' ' A' ' 107' ' ' ASN . 17.7 mm -125.8 119.21 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.1 -1.074 . . . . 25.0 108.1 -178.585 . . . . . . . . 2 2 . 1 . 042 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -125.95 161.22 27.99 Favored 'General case' 0 C--O 1.219 -0.52 0 N-CA-C 110.254 -0.276 . . . . 25.0 110.254 -177.213 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -103.31 127.14 9.07 Favored Glycine 0 C--O 1.225 -0.422 0 C-N-CA 121.435 -0.412 . . . . 25.0 112.164 -179.431 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -92.61 -29.6 16.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.226 0.536 . . . . 25.0 110.24 176.538 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 69.4 mt -131.23 -50.98 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.526 -0.761 . . . . 25.0 109.996 -179.781 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 59.3 m 49.94 26.58 2.05 Favored 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 115.823 1.786 . . . . 25.0 115.823 178.907 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 35.7 t-20 -66.3 118.31 9.8 Favored 'General case' 0 C--O 1.242 0.683 0 O-C-N 121.667 -0.645 . . . . 25.0 109.824 -179.67 . . . . . . . . 1 1 . 1 . 042 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 34.4 t . . . . . 0 N--CA 1.482 1.149 0 C-N-CA 126.37 1.868 . . . . 25.0 115.129 179.301 . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 57.2 m80 . . . . . 0 C--O 1.205 -1.25 0 CA-C-O 122.475 1.131 . . . . 25.0 113.166 . . . . . . . . . 0 0 . 1 . 043 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 47.8 mm -85.58 114.29 25.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.393 0 N-CA-C 107.364 -1.347 . . . . 25.0 107.364 -177.565 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -73.48 160.75 31.25 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 123.187 0.595 . . . . 25.0 110.162 -179.855 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.62 -142.94 3.63 Favored Glycine 0 N--CA 1.466 0.677 0 N-CA-C 108.681 -1.768 . . . . 25.0 108.681 -178.327 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 99' ' ' ARG . . . . . . . . . . . . . 96.9 mtt-85 -81.26 32.88 0.34 Allowed 'General case' 0 N--CA 1.481 1.105 0 CA-C-N 118.245 1.022 . . . . 25.0 109.872 177.74 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -112.2 137.07 50.8 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 107.536 -1.283 . . . . 25.0 107.536 -179.944 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 3.7 ptt? -130.8 159.12 38.26 Favored 'General case' 0 C--N 1.314 -0.972 0 N-CA-C 107.438 -1.319 . . . . 25.0 107.438 -178.637 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 102' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -104.11 118.89 37.74 Favored 'General case' 0 C--N 1.316 -0.857 0 N-CA-C 108.158 -1.053 . . . . 25.0 108.158 -178.537 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.1 mt -117.12 121.58 41.67 Favored 'General case' 0 CA--C 1.501 -0.929 0 CA-C-O 120.905 0.383 . . . . 25.0 110.249 179.11 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 27.7 m -89.71 139.92 30.09 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.007 -0.997 . . . . 25.0 109.208 -178.738 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.9 mm -119.04 131.46 71.74 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.088 0 N-CA-C 109.211 -0.663 . . . . 25.0 109.211 -173.772 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 35.1 t -116.91 125.43 51.47 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 120.317 -0.553 . . . . 25.0 111.704 178.439 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -92.04 92.1 8.12 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 123.035 0.534 . . . . 25.0 111.007 179.374 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 108' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.9 -21.99 61.8 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 112.934 0.716 . . . . 25.0 112.934 -175.062 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.3 mp -72.09 -39.08 69.2 Favored 'General case' 0 C--O 1.202 -1.43 0 C-N-CA 120.496 -0.482 . . . . 25.0 112.01 -179.608 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.4 p -106.38 -22.32 12.84 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.862 -1.063 . . . . 25.0 111.504 -168.85 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 90.3 3.65 72.13 Favored Glycine 0 CA--C 1.52 0.344 0 N-CA-C 110.647 -0.981 . . . . 25.0 110.647 -178.848 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -88.32 148.08 24.46 Favored 'General case' 0 C--N 1.316 -0.861 0 O-C-N 122.14 -0.624 . . . . 25.0 112.63 -176.559 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 113' ' ' ILE . . . . . . . . . . . . . 34.4 mm -112.84 126.69 70.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 106.287 -1.746 . . . . 25.0 106.287 177.425 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -94.57 176.01 6.45 Favored 'General case' 0 C--O 1.261 1.663 0 CA-C-O 122.698 1.237 . . . . 25.0 107.943 -176.787 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -68.74 151.16 51.32 Favored Glycine 0 N--CA 1.441 -0.997 0 C-N-CA 120.182 -1.008 . . . . 25.0 112.191 -175.091 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -70.71 125.08 11.28 Favored 'Trans proline' 0 N--CA 1.446 -1.274 1 C-N-CA 111.545 -5.17 . . . . 25.0 107.76 163.742 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 20.9 pt -100.45 137.05 29.22 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 CA-C-O 122.444 1.116 . . . . 25.0 110.812 -177.532 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -82.03 100.51 9.77 Favored 'General case' 0 C--O 1.216 -0.684 0 CA-C-O 122.751 1.263 . . . . 25.0 109.726 -176.659 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 24.5 m -123.55 163.68 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.499 -0.983 0 CA-C-N 115.102 -0.954 . . . . 25.0 110.252 -178.543 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 75.0 m -99.46 155.98 17.27 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 113.955 1.095 . . . . 25.0 113.955 -172.433 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 121' ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -69.1 -27.28 65.45 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-N 115.539 -0.755 . . . . 25.0 112.41 177.558 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.33 7.62 46.01 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-N 115.897 -0.592 . . . . 25.0 110.858 178.876 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 123' ' ' MET . . . . . . . . . . . . . 18.5 ttt -70.38 140.65 52.16 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 106.156 -1.794 . . . . 25.0 106.156 176.936 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -78.36 157.96 28.93 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.855 -0.794 . . . . 25.0 108.855 -178.867 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -59.69 -42.53 93.18 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-O 121.381 0.61 . . . . 25.0 110.118 178.836 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 2.4 p -66.3 -25.49 66.87 Favored 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 114.094 1.146 . . . . 25.0 114.094 178.214 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 127' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -80.73 -34.97 34.05 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 109.582 -0.525 . . . . 25.0 109.582 178.505 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 63.6 tp -59.4 -46.17 89.45 Favored 'General case' 0 CA--C 1.543 0.693 0 N-CA-C 108.305 -0.998 . . . . 25.0 108.305 171.536 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 129' ' ' ILE . . . . . . . . . . . . . 80.2 mt -65.03 -31.76 55.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.374 -0.531 . . . . 25.0 110.632 179.788 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.0 -39.96 96.33 Favored 'General case' 0 C--O 1.213 -0.866 0 CA-C-N 118.195 0.452 . . . . 25.0 110.823 174.609 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.2 tp -68.6 -37.07 79.5 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 119.355 -0.938 . . . . 25.0 111.928 175.325 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 89.2 mt -67.21 -30.02 69.84 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 121.56 -0.713 . . . . 25.0 110.976 178.275 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -66.66 -38.42 86.81 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.698 -0.626 . . . . 25.0 110.457 175.758 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.54 -39.97 23.85 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.319 -0.855 . . . . 25.0 112.82 -174.14 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -90.92 -59.8 2.08 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.496 0.665 . . . . 25.0 111.937 -178.638 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 136' ' ' CYS . . . . . . . . . . . . . 40.2 m -80.45 -17.71 50.91 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 116.211 1.93 . . . . 25.0 116.211 -175.363 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.01 20.28 70.65 Favored Glycine 0 C--O 1.242 0.648 0 CA-C-O 121.484 0.491 . . . . 25.0 113.142 -175.853 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 138' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -63.6 145.39 55.78 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-O 120.964 0.411 . . . . 25.0 110.322 -179.887 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -138.46 116.16 11.43 Favored 'General case' 0 C--O 1.208 -1.12 0 N-CA-C 108.085 -1.08 . . . . 25.0 108.085 176.164 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 140' ' ' LYS . . . . . . . . . . . . . 14.8 pttp -61.51 -11.44 10.9 Favored 'General case' 0 N--CA 1.474 0.739 0 N-CA-C 115.652 1.723 . . . . 25.0 115.652 -176.6 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 68.2 p -88.82 -32.77 17.67 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.58 -0.7 . . . . 25.0 110.289 176.654 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -103.36 -18.63 14.76 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 122.306 1.051 . . . . 25.0 113.403 -173.684 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 56.0 m80 -139.49 155.55 47.48 Favored 'General case' 0 C--N 1.315 -0.891 0 N-CA-C 107.308 -1.367 . . . . 25.0 107.308 -174.921 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 144' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.65 143.78 49.55 Favored 'General case' 0 CA--C 1.506 -0.749 0 N-CA-C 107.987 -1.116 . . . . 25.0 107.987 178.289 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 68.9 tp -90.77 135.8 33.48 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 104.865 -2.272 . . . . 25.0 104.865 179.251 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -120.23 145.48 46.98 Favored 'General case' 0 C--O 1.22 -0.499 0 CA-C-O 121.382 0.61 . . . . 25.0 111.307 -177.932 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 147' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -146.06 138.61 25.49 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 114.958 -1.019 . . . . 25.0 109.053 179.159 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 148' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 54.19 32.93 16.94 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.015 0.822 . . . . 25.0 111.694 -176.676 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 149' ' ' MET . . . . . . . . . . . . . 33.2 mtp 62.68 23.52 14.0 Favored 'General case' 0 CA--C 1.556 1.199 0 CA-C-N 113.35 -1.75 . . . . 25.0 114.447 -176.655 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.1 t0 -130.45 165.25 23.01 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.491 0.716 . . . . 25.0 110.595 178.838 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 151' ' ' ILE . . . . . . . . . . . . . 23.6 mt -78.37 131.98 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 114.361 1.245 . . . . 25.0 114.361 -175.58 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 152' ' ' LEU . . . . . . . . . . . . . 69.9 mt -98.19 116.35 30.22 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.985 0.421 . . . . 25.0 110.282 170.266 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -65.41 120.1 12.22 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.602 0.715 . . . . 25.0 111.571 176.339 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 90.0 p -70.74 -6.17 35.44 Favored 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 114.408 1.262 . . . . 25.0 114.408 -176.382 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 155' ' ' ASN . . . . . . . . . . . . . 64.0 t30 -93.86 -0.81 55.55 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.896 0.478 . . . . 25.0 110.476 179.419 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -74.89 146.52 41.8 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-O 121.625 0.726 . . . . 25.0 110.941 178.56 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 157' ' ' THR . . . . . . . . . . . . . 73.6 p -112.51 10.87 19.68 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-N 115.478 -0.783 . . . . 25.0 110.627 -178.856 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 158' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -66.46 157.85 31.02 Favored 'General case' 0 CA--C 1.501 -0.93 0 C-N-CA 120.909 -0.316 . . . . 25.0 111.784 -177.619 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 159' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.81 154.41 21.59 Favored 'General case' 0 C--N 1.316 -0.86 0 N-CA-C 106.423 -1.695 . . . . 25.0 106.423 178.853 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 160' ' ' LEU . . . . . . . . . . . . . 20.1 mt -60.78 -30.83 70.27 Favored 'General case' 0 C--O 1.204 -1.319 0 C-N-CA 120.181 -0.608 . . . . 25.0 111.228 -178.689 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 161' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -58.58 -39.2 79.67 Favored 'General case' 0 C--O 1.207 -1.163 0 CA-C-O 122.05 0.929 . . . . 25.0 111.27 176.883 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 162' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -74.38 -24.87 59.2 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-N 115.905 -0.589 . . . . 25.0 109.663 -175.69 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 74.9 mt -80.77 -12.78 59.4 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.936 -0.764 . . . . 25.0 108.936 179.733 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . 91.55 9.67 62.72 Favored Glycine 0 N--CA 1.446 -0.653 0 C-N-CA 121.135 -0.555 . . . . 25.0 113.015 176.524 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 165' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.71 151.03 48.21 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 120.766 -0.373 . . . . 25.0 111.837 -179.193 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 166' ' ' LYS . . . . . . . . . . . . . 9.1 ptpt -152.97 168.53 25.53 Favored 'General case' 0 C--O 1.201 -1.453 0 O-C-N 124.656 1.223 . . . . 25.0 107.943 -175.842 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 167' ' ' THR . . . . . . . . . . . . . 4.8 t -70.64 6.33 1.5 Allowed 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 116.441 2.015 . . . . 25.0 116.441 -179.575 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 168' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -123.73 21.66 9.16 Favored 'General case' 0 C--O 1.217 -0.654 0 N-CA-C 107.312 -1.366 . . . . 25.0 107.312 -177.032 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 169' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.73 162.36 16.37 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 114.61 1.337 . . . . 25.0 114.61 -176.526 . . . . . . . . 2 2 . 1 . 043 nuclear nobuild full ' A' A ' 170' ' ' LEU . . . . . . . . . . . . . 8.6 tt -141.66 133.97 27.98 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 115.311 -0.858 . . . . 25.0 111.828 -175.712 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 171' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -105.63 148.2 27.62 Favored 'General case' 0 C--O 1.216 -0.688 0 CA-C-N 115.548 -0.751 . . . . 25.0 110.015 -176.543 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 79.6 mt -110.69 154.55 23.7 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 122.896 0.478 . . . . 25.0 110.761 176.684 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 173' ' ' ILE . . . . . . . . . . . . . 25.3 mm -118.48 124.95 73.93 Favored 'Isoleucine or valine' 0 C--O 1.206 -1.217 0 N-CA-C 108.404 -0.961 . . . . 25.0 108.404 175.217 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 174' ' ' ARG . . . . . . . . . . . . . 25.8 tpt85 -118.96 141.18 48.89 Favored 'General case' 0 C--O 1.222 -0.388 0 N-CA-C 107.031 -1.47 . . . . 25.0 107.031 -179.116 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 175' ' ' GLY . . . . . . . . . . . . . . . -91.92 138.62 14.33 Favored Glycine 0 C--N 1.323 -0.166 0 N-CA-C 109.03 -1.628 . . . . 25.0 109.03 176.544 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 176' ' ' LYS . . . . . . . . . . . . . 63.0 pttt -129.69 162.8 27.54 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 113.392 0.886 . . . . 25.0 113.392 179.248 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 177' ' ' ILE . . . . . . . . . . . . . 36.0 mm -119.91 -50.35 3.55 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.584 0 CA-C-N 113.674 -1.603 . . . . 25.0 107.705 177.034 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 178' ' ' SER . . . . . . . . . . . . . 87.4 p -144.96 -17.01 0.51 Allowed 'General case' 0 C--O 1.204 -1.341 0 N-CA-C 114.59 1.33 . . . . 25.0 114.59 177.987 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 179' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -137.08 172.25 13.28 Favored 'General case' 0 CA--C 1.509 -0.63 0 N-CA-C 107.132 -1.433 . . . . 25.0 107.132 -175.072 . . . . . . . . 1 1 . 1 . 043 nuclear nobuild full ' A' A ' 180' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 N--CA 1.482 1.161 0 CA-C-O 123.769 1.747 . . . . 25.0 113.22 -178.591 . . . . . . . . 0 0 . 1 stop_ save_