data_2jvy_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 2jvy _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.444 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.942 -0.392 . . . . 2.1400000000000001 109.942 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.82999999999999996 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 2.1800000000000002 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.28000000000000003 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.89000000000000001 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 2.1299999999999999 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.46000000000000002 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 3.3100000000000001 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 1.0900000000000001 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 2.4199999999999999 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 1.1699999999999999 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.69999999999999996 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.9299999999999999 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.8700000000000001 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.1400000000000001 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 1.21 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 1.23 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 3.0899999999999999 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 1.22 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 2.1200000000000001 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 4.0300000000000002 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.1500000000000004 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 5.5499999999999998 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 5.0700000000000003 108.718 175.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.983 0.421 . . . . 2.1400000000000001 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.82999999999999996 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 2.1800000000000002 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.28000000000000003 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.89000000000000001 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 2.1299999999999999 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.46000000000000002 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 3.3100000000000001 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 1.0900000000000001 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 2.4199999999999999 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 1.1699999999999999 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.69999999999999996 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.9299999999999999 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.8700000000000001 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.1400000000000001 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 1.21 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 3.0899999999999999 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 1.22 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 2.1200000000000001 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 4.0300000000000002 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.1500000000000004 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 5.5499999999999998 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.739 ' H ' HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 5.0700000000000003 110.705 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.633 0.254 . . . . 2.1400000000000001 110.547 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.82999999999999996 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 2.1800000000000002 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.28000000000000003 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.89000000000000001 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 2.1299999999999999 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.46000000000000002 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 3.3100000000000001 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 1.0900000000000001 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 2.4199999999999999 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 1.1699999999999999 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.69999999999999996 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.9299999999999999 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.8700000000000001 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.1400000000000001 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 1.21 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 1.23 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 3.0899999999999999 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 1.22 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.599 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 51.2 t60 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 2.1200000000000001 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 4.0300000000000002 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.1500000000000004 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 5.5499999999999998 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 24' ' ' MET . 1.5 pp . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 5.0700000000000003 109.404 169.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.677 -0.49 . . . . 2.1400000000000001 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.607 ' HB3' HD23 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.82999999999999996 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.511 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 2.1800000000000002 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.28000000000000003 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.89000000000000001 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 2.1299999999999999 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.46000000000000002 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 3.3100000000000001 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 1.0900000000000001 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 2.4199999999999999 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 1.1699999999999999 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.69999999999999996 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.9299999999999999 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.8700000000000001 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.1400000000000001 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 1.21 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 1.23 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 3.0899999999999999 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 1.22 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 2.1200000000000001 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 4.0300000000000002 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.1500000000000004 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 5.5499999999999998 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 5.0700000000000003 111.325 179.092 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 109.028 -0.73 . . . . 2.1400000000000001 109.028 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HB3' HD21 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.82999999999999996 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 2.1800000000000002 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.28000000000000003 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.89000000000000001 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 2.1299999999999999 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.46000000000000002 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 3.3100000000000001 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 1.0900000000000001 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 2.4199999999999999 110.619 174.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 1.1699999999999999 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.69999999999999996 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.9299999999999999 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.8700000000000001 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.1400000000000001 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 1.21 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 1.23 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 3.0899999999999999 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 1.22 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 2.1200000000000001 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 4.0300000000000002 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.1500000000000004 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 5.5499999999999998 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 5.0700000000000003 109.715 -166.441 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.267 0.556 . . . . 2.1400000000000001 109.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.82999999999999996 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 2.1800000000000002 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.28000000000000003 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.89000000000000001 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 2.1299999999999999 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.46000000000000002 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 3.3100000000000001 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 1.0900000000000001 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 2.4199999999999999 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 1.1699999999999999 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.69999999999999996 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.9299999999999999 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.42 ' HE1' ' HZ ' ' A' ' 4' ' ' PHE . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.8700000000000001 111.219 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.1400000000000001 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 1.21 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 1.23 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 3.0899999999999999 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 1.22 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 2.1200000000000001 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 4.0300000000000002 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.1500000000000004 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 5.5499999999999998 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 5.0700000000000003 109.512 177.459 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.894 0.378 . . . . 2.1400000000000001 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.53 ' HB3' HD23 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.82999999999999996 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 2.1800000000000002 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.28000000000000003 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.89000000000000001 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.1299999999999999 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.46000000000000002 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.405 HE21 ' N ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 3.3100000000000001 109.808 177.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 1.0900000000000001 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 2.4199999999999999 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 1.1699999999999999 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.69999999999999996 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.9299999999999999 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.8700000000000001 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.1400000000000001 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 1.21 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 1.23 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 3.0899999999999999 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 1.22 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 2.1200000000000001 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 4.0300000000000002 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.1500000000000004 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 5.5499999999999998 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 5.0700000000000003 108.763 174.404 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.879 0.371 . . . . 2.1400000000000001 111.35 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.82999999999999996 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 2.1800000000000002 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.28000000000000003 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.89000000000000001 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 2.1299999999999999 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.46000000000000002 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 3.3100000000000001 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 1.0900000000000001 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 2.4199999999999999 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 1.1699999999999999 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.69999999999999996 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.9299999999999999 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.8700000000000001 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.1400000000000001 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 1.21 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 3.0899999999999999 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 1.22 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 2.1200000000000001 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 4.0300000000000002 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.1500000000000004 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 5.5499999999999998 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' H ' HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 5.0700000000000003 110.81 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.904 0.383 . . . . 2.1400000000000001 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.82999999999999996 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 2.1800000000000002 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.28000000000000003 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.89000000000000001 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 2.1299999999999999 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.46000000000000002 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 3.3100000000000001 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 1.0900000000000001 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 2.4199999999999999 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 1.1699999999999999 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.69999999999999996 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.9299999999999999 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.8700000000000001 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.1400000000000001 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 1.21 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 1.23 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 3.0899999999999999 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 1.22 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 2.1200000000000001 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 4.0300000000000002 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.1500000000000004 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 5.5499999999999998 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 5.0700000000000003 110.415 -177.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.694 0.283 . . . . 2.1400000000000001 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.82999999999999996 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 2.1800000000000002 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.28000000000000003 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.89000000000000001 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 2.1299999999999999 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.46000000000000002 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 3.3100000000000001 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 1.0900000000000001 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 2.4199999999999999 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 1.1699999999999999 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.69999999999999996 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.9299999999999999 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.424 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.8700000000000001 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.1400000000000001 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 1.21 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 1.23 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 3.0899999999999999 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 1.22 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 2.1200000000000001 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 4.0300000000000002 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.1500000000000004 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.515 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 5.5499999999999998 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 5.0700000000000003 111.059 176.438 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.919 0.39 . . . . 4.5199999999999996 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -89.23 19.14 4.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.188 0.518 . . . . 3.96 109.941 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.444 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 -140.15 177.71 7.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.764 -0.653 . . . . 2.1400000000000001 109.942 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.501 ' HB3' HD23 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.82999999999999996 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 2.1800000000000002 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.28000000000000003 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.89000000000000001 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 2.1299999999999999 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.46000000000000002 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 3.3100000000000001 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 1.0900000000000001 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.583 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 2.4199999999999999 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 1.1699999999999999 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.69999999999999996 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.9299999999999999 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.8700000000000001 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.1400000000000001 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 1.21 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD23 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 1.23 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 3.0899999999999999 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 1.22 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.498 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 2.1200000000000001 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 4.0300000000000002 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.1500000000000004 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 5.5499999999999998 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt -103.3 18.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 5.0700000000000003 108.718 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.219 -0.901 . . . . 6.1500000000000004 110.139 -176.671 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.766 0.317 . . . . 4.5199999999999996 111.312 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -157.99 33.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.873 0.844 . . . . 3.96 108.954 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.74 171.14 8.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.594 -1.184 . . . . 2.1400000000000001 111.198 -166.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.589 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.82999999999999996 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.572 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 2.1800000000000002 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.28000000000000003 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.89000000000000001 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 2.1299999999999999 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.46000000000000002 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 3.3100000000000001 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 1.0900000000000001 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.572 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 2.4199999999999999 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.478 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 1.1699999999999999 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.69999999999999996 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.9299999999999999 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.52 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.8700000000000001 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.1400000000000001 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 1.21 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 1.23 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 3.0899999999999999 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 1.22 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.486 HG21 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 2.1200000000000001 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 4.0300000000000002 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.1500000000000004 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 5.5499999999999998 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.739 ' H ' HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.08 -18.57 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 5.0700000000000003 110.705 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.753 -0.641 . . . . 6.1500000000000004 109.871 178.888 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.13 0.491 . . . . 4.5199999999999996 110.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -136.1 154.55 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 3.96 109.76 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 -95.93 -174.19 3.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.511 -0.313 . . . . 2.1400000000000001 110.547 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.669 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.82999999999999996 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 2.1800000000000002 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.28000000000000003 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.89000000000000001 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.43 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 2.1299999999999999 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.46000000000000002 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.469 ' OE1' ' HA ' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 3.3100000000000001 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 1.0900000000000001 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 2.4199999999999999 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 1.1699999999999999 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.69999999999999996 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.9299999999999999 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.8700000000000001 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.1400000000000001 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 1.21 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.669 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 1.23 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 3.0899999999999999 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 1.22 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.599 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 51.2 t60 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 2.1200000000000001 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.403 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 4.0300000000000002 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.599 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.1500000000000004 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 5.5499999999999998 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.612 HD13 ' HG3' ' A' ' 28' ' ' GLU . 1.5 pp -89.63 -0.22 8.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 5.0700000000000003 109.404 169.209 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.612 ' HG3' HD13 ' A' ' 27' ' ' ILE . 46.0 mt-10 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 114.963 -1.017 . . . . 6.1500000000000004 109.566 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.711 0.291 . . . . 4.5199999999999996 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -105.96 -16.75 14.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.816 0.341 . . . . 3.96 110.992 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -98.78 97.12 8.38 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.677 -0.49 . . . . 2.1400000000000001 109.677 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.607 ' HB3' HD23 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.82999999999999996 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.511 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 2.1800000000000002 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.28000000000000003 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.89000000000000001 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 2.1299999999999999 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.46000000000000002 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 3.3100000000000001 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 1.0900000000000001 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 2.4199999999999999 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 1.1699999999999999 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.69999999999999996 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.9299999999999999 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.8700000000000001 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.1400000000000001 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 1.21 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.607 HD23 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 1.23 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 3.0899999999999999 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 1.22 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.425 HG21 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 2.1200000000000001 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 4.0300000000000002 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.1500000000000004 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 5.5499999999999998 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt 71.39 -68.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 5.0700000000000003 111.325 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.063 -0.494 . . . . 6.1500000000000004 110.998 -177.55 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.964 0.412 . . . . 4.5199999999999996 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -78.73 -19.44 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.709 -0.849 . . . . 3.96 108.709 173.105 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.54 141.26 28.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.549 -1.205 . . . . 2.1400000000000001 109.028 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.59 ' HB3' HD21 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.82999999999999996 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.673 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 2.1800000000000002 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.28000000000000003 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.89000000000000001 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 2.1299999999999999 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.46000000000000002 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 3.3100000000000001 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 1.0900000000000001 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.673 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 2.4199999999999999 110.619 174.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.471 ' HB3' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 1.1699999999999999 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.69999999999999996 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.9299999999999999 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.8700000000000001 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.1400000000000001 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.471 ' HB ' ' HB3' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 1.21 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD21 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 1.23 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 3.0899999999999999 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 1.22 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 2.1200000000000001 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 4.0300000000000002 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.1500000000000004 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 5.5499999999999998 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt 52.28 79.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 5.0700000000000003 109.715 -166.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.669 -0.696 . . . . 6.1500000000000004 110.496 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.444 0.164 . . . . 4.5199999999999996 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -84.15 18.06 2.27 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.662 0.744 . . . . 3.96 110.136 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -110.26 104.87 13.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.23 -0.895 . . . . 2.1400000000000001 109.873 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.689 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.82999999999999996 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 2.1800000000000002 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.28000000000000003 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.89000000000000001 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 2.1299999999999999 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.46000000000000002 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 3.3100000000000001 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 1.0900000000000001 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.588 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 2.4199999999999999 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 1.1699999999999999 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.69999999999999996 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.9299999999999999 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.42 ' HE1' ' HZ ' ' A' ' 4' ' ' PHE . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.8700000000000001 111.219 -176.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.1400000000000001 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.411 ' HB ' ' HB2' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 1.21 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.689 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 1.23 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 3.0899999999999999 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 1.22 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 2.1200000000000001 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 4.0300000000000002 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.1500000000000004 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 5.5499999999999998 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 49.2 mm -61.38 -65.41 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 5.0700000000000003 109.512 177.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 7.5 tp10 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 108.881 -0.785 . . . . 6.1500000000000004 108.881 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.683 0.277 . . . . 4.5199999999999996 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -89.45 50.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.428 0.632 . . . . 3.96 109.623 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.49 111.28 21.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 2.1400000000000001 110.482 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.53 ' HB3' HD23 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.82999999999999996 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.492 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 2.1800000000000002 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.28000000000000003 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.89000000000000001 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 2.1299999999999999 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.46000000000000002 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.405 HE21 ' N ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 3.3100000000000001 109.808 177.883 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 1.0900000000000001 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 2.4199999999999999 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 1.1699999999999999 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.69999999999999996 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.9299999999999999 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.8700000000000001 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.1400000000000001 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 1.21 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 1.23 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 3.0899999999999999 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 1.22 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 2.1200000000000001 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 4.0300000000000002 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.1500000000000004 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 5.5499999999999998 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -107.92 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 5.0700000000000003 108.763 174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.433 -0.794 . . . . 6.1500000000000004 109.768 -177.718 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.86 0.362 . . . . 4.5199999999999996 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -94.08 138.49 32.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.348 -0.612 . . . . 3.96 109.348 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.74 -93.96 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.879 0.371 . . . . 2.1400000000000001 111.35 -173.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.586 ' HB3' HD21 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.82999999999999996 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.5 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 2.1800000000000002 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.28000000000000003 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.454 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.89000000000000001 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 2.1299999999999999 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.46000000000000002 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 3.3100000000000001 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 1.0900000000000001 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.5 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 2.4199999999999999 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 1.1699999999999999 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.69999999999999996 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.9299999999999999 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.8700000000000001 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.1400000000000001 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 1.21 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.586 HD21 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 1.23 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 3.0899999999999999 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 1.22 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 2.1200000000000001 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 4.0300000000000002 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.1500000000000004 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 5.5499999999999998 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' H ' HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.69 138.91 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 5.0700000000000003 110.81 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.313 -0.851 . . . . 6.1500000000000004 109.446 174.887 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 4.5199999999999996 110.646 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -146.38 27.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.571 -0.9 . . . . 3.96 108.571 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.65 156.35 16.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.508 -1.223 . . . . 2.1400000000000001 110.982 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.578 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.82999999999999996 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 2.1800000000000002 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.28000000000000003 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.89000000000000001 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 2.1299999999999999 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.46000000000000002 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 3.3100000000000001 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 1.0900000000000001 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.406 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 2.4199999999999999 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 1.1699999999999999 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.69999999999999996 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.9299999999999999 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.8700000000000001 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.1400000000000001 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 1.21 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.578 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 1.23 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 3.0899999999999999 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 1.22 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 2.1200000000000001 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 4.0300000000000002 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.1500000000000004 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 5.5499999999999998 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt -119.16 101.25 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 5.0700000000000003 110.415 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.436 -0.793 . . . . 6.1500000000000004 109.205 -179.26 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.382 0.141 . . . . 4.5199999999999996 111.382 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -79.67 -12.08 59.83 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.612 0.72 . . . . 3.96 109.603 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.6 169.46 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.864 -1.062 . . . . 2.1400000000000001 110.297 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.583 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.82999999999999996 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 2.1800000000000002 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.28000000000000003 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.89000000000000001 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 2.1299999999999999 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.46000000000000002 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 3.3100000000000001 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 1.0900000000000001 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 2.4199999999999999 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 1.1699999999999999 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.69999999999999996 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.9299999999999999 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.424 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.8700000000000001 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.426 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.1400000000000001 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 1.21 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.583 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 1.23 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 3.0899999999999999 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 1.22 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.526 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 2.1200000000000001 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 4.0300000000000002 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.1500000000000004 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.515 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 5.5499999999999998 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm 72.78 -4.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 5.0700000000000003 111.059 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.251 1.133 0 N-CA-C 109.469 -0.567 . . . . 6.1500000000000004 109.469 172.728 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.942 -0.392 . . . . 2.14 109.942 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 1.48 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.26 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.56 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 1.51 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.41 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 2.89 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 0.56 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 1.97 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 0.3 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.57 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.93 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.26 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 0.58 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.46 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 2.46 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 0.54 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.39 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 3.49 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.15 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 4.85 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 4.59 108.718 175.785 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.983 0.421 . . . . 2.14 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.74 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 1.48 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.26 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.56 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 1.51 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.41 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.89 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 0.56 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 1.97 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 0.3 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.57 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.93 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.26 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.14 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 0.58 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 0.46 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 2.46 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 0.54 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 1.39 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 3.49 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.15 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 4.85 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 4.59 110.705 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.633 0.254 . . . . 2.14 110.547 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.74 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 1.48 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.26 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.56 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 1.51 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.41 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 2.89 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 0.56 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 1.97 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.3 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.57 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.93 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.26 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.14 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 0.58 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.46 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 2.46 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.54 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 36.7 t-80 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 1.39 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' MET . . . . . 0.412 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 3.49 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.15 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 4.85 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 24' ' ' MET . 1.5 pp . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 4.59 109.404 169.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.677 -0.49 . . . . 2.14 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HD22 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.74 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 1.48 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.26 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.56 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 1.51 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.41 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 2.89 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 0.56 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 1.97 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 0.3 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.57 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.93 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.26 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.14 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.58 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 0.46 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 2.46 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 1.39 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 3.49 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.15 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 4.85 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 4.59 111.325 179.092 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 109.028 -0.73 . . . . 2.14 109.028 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.74 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 1.48 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.26 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.56 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 1.51 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.41 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 2.89 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 0.56 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.7 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.5 pp0? -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 1.97 110.619 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 0.3 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.57 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.93 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.26 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.14 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.499 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 0.58 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.46 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 2.46 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.54 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 1.39 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 3.49 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.15 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 4.85 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 4.59 109.715 -166.441 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.267 0.556 . . . . 2.14 109.873 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 1.48 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.26 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.56 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 1.51 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.41 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 2.89 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.56 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 1.97 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 0.3 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.57 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.93 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.26 111.219 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.14 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 0.58 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 0.46 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 2.46 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 0.54 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 1.39 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 3.49 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.15 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 4.85 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 4.59 109.512 177.459 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.894 0.378 . . . . 2.14 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.74 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 1.48 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.26 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.56 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 1.51 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.41 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 2.89 109.808 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 0.56 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 1.97 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 0.3 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.57 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.93 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.26 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.14 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.58 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.46 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 2.46 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 0.54 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 1.39 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 3.49 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.15 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 4.85 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.7 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 4.59 108.763 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.879 0.371 . . . . 2.14 111.35 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.74 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 1.48 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.26 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.56 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 1.51 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.41 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 2.89 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 0.56 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 1.97 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 0.3 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.57 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.93 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.26 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.14 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 0.58 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.46 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 2.46 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.54 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 1.39 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 3.49 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.15 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 4.85 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 4.59 110.81 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.904 0.383 . . . . 2.14 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.591 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.74 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 1.48 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.26 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.56 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 1.51 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.41 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 2.89 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 0.56 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 1.97 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 0.3 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.57 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.93 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.26 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.14 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.58 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 0.46 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.46 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.54 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 1.39 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 3.49 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.15 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 4.85 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 4.59 110.415 -177.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.694 0.283 . . . . 2.14 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.74 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 1.48 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.26 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.56 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 1.51 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.41 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 2.89 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 0.56 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 12.6 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 1.97 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 0.3 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.57 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.93 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.26 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.14 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.58 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 2.46 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.54 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 1.39 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 3.49 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.15 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 4.85 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 4.59 111.059 176.438 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.919 0.39 . . . . 4.03 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -89.23 19.14 4.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.188 0.518 . . . . 3.68 109.941 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 -140.15 177.71 7.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.764 -0.653 . . . . 2.14 109.942 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 1.48 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.26 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.56 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 1.51 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.41 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 2.89 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 0.56 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 1.97 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 0.3 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.57 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.93 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.26 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 0.58 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.46 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 2.46 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 0.54 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.39 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 3.49 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.15 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 4.85 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt -103.3 18.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 4.59 108.718 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.219 -0.901 . . . . 6.15 110.139 -176.671 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.766 0.317 . . . . 4.03 111.312 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -157.99 33.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.873 0.844 . . . . 3.68 108.954 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.74 171.14 8.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.594 -1.184 . . . . 2.14 111.198 -166.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.74 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 1.48 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.26 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.56 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 1.51 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.41 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.89 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 0.56 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 1.97 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 0.3 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.57 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.93 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.26 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.14 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 0.58 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 0.46 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 2.46 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 0.54 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 1.39 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 3.49 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.15 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 4.85 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.08 -18.57 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 4.59 110.705 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.753 -0.641 . . . . 6.15 109.871 178.888 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.13 0.491 . . . . 4.03 110.175 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -136.1 154.55 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 3.68 109.76 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 -95.93 -174.19 3.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.511 -0.313 . . . . 2.14 110.547 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.74 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 1.48 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.26 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.56 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 1.51 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.41 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 2.89 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 0.56 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 1.97 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.3 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.57 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.93 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.26 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.14 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 0.58 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.46 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 62.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 2.46 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.54 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 36.7 t-80 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 1.39 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.412 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 3.49 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.15 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 4.85 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.623 HD12 ' HG3' ' A' ' 28' ' ' GLU . 1.5 pp -89.63 -0.22 8.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 4.59 109.404 169.209 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HG3' HD12 ' A' ' 27' ' ' ILE . 46.0 mt-10 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 114.963 -1.017 . . . . 6.15 109.566 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.711 0.291 . . . . 4.03 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -105.96 -16.75 14.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.816 0.341 . . . . 3.68 110.992 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -98.78 97.12 8.38 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.677 -0.49 . . . . 2.14 109.677 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HD22 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.74 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 1.48 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.26 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.56 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 1.51 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.41 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 2.89 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 0.56 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 1.97 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 0.3 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.57 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.93 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.26 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.14 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.58 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 0.46 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.4 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 2.46 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 1.39 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 3.49 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.15 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 4.85 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt 71.39 -68.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 4.59 111.325 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.063 -0.494 . . . . 6.15 110.998 -177.55 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.964 0.412 . . . . 4.03 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -78.73 -19.44 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.709 -0.849 . . . . 3.68 108.709 173.105 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.54 141.26 28.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.549 -1.205 . . . . 2.14 109.028 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.74 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 1.48 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.26 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.56 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 1.51 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.41 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 2.89 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 0.56 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.7 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.5 pp0? -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 1.97 110.619 174.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 0.3 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.57 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.93 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.26 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.14 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.499 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 0.58 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.46 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 2.46 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.54 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 1.39 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 3.49 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.15 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 4.85 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt 52.28 79.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 4.59 109.715 -166.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.669 -0.696 . . . . 6.15 110.496 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.444 0.164 . . . . 4.03 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -84.15 18.06 2.27 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.662 0.744 . . . . 3.68 110.136 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -110.26 104.87 13.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.23 -0.895 . . . . 2.14 109.873 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 1.48 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.26 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.56 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 1.51 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.41 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 2.89 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.56 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 1.97 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 0.3 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.57 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.93 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.26 111.219 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.14 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 0.58 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 0.46 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 2.46 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 0.54 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 1.39 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 3.49 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.15 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 4.85 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 49.2 mm -61.38 -65.41 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 4.59 109.512 177.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 7.5 tp10 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 108.881 -0.785 . . . . 6.15 108.881 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.683 0.277 . . . . 4.03 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -89.45 50.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.428 0.632 . . . . 3.68 109.623 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.49 111.28 21.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 2.14 110.482 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.74 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 1.48 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.26 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.56 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 1.51 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.41 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 14.0 pm0 -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 2.89 109.808 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 0.56 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 1.97 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 0.3 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.57 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.93 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.26 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.14 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.58 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.46 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 2.46 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 0.54 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 1.39 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 3.49 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.15 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 4.85 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.7 mp -107.92 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 4.59 108.763 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.433 -0.794 . . . . 6.15 109.768 -177.718 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.86 0.362 . . . . 4.03 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -94.08 138.49 32.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.348 -0.612 . . . . 3.68 109.348 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.74 -93.96 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.879 0.371 . . . . 2.14 111.35 -173.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.74 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 1.48 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.26 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.56 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 1.51 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.41 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 2.89 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 0.56 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 1.97 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 0.3 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.57 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.93 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.26 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.14 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 0.58 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.46 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 2.46 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.54 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 1.39 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 3.49 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.15 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 4.85 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.69 138.91 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 4.59 110.81 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.313 -0.851 . . . . 6.15 109.446 174.887 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 4.03 110.646 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -146.38 27.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.571 -0.9 . . . . 3.68 108.571 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.65 156.35 16.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.508 -1.223 . . . . 2.14 110.982 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.591 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.74 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 1.48 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.26 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.56 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 1.51 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.41 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 2.89 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 0.56 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 1.97 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 0.3 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.57 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.93 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.26 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.14 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.58 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 0.46 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.46 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.54 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 1.39 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 3.49 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.15 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 4.85 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt -119.16 101.25 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 4.59 110.415 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.436 -0.793 . . . . 6.15 109.205 -179.26 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.382 0.141 . . . . 4.03 111.382 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -79.67 -12.08 59.83 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.612 0.72 . . . . 3.68 109.603 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.6 169.46 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.864 -1.062 . . . . 2.14 110.297 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.74 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 1.48 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.26 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.56 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 1.51 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.41 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 2.89 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 0.56 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 12.6 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 1.97 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 0.3 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.57 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.93 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.26 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.14 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.58 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 2.46 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.54 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 1.39 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 3.49 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.15 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 4.85 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm 72.78 -4.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 4.59 111.059 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.251 1.133 0 N-CA-C 109.469 -0.567 . . . . 6.15 109.469 172.728 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.942 -0.392 . . . . 2.14 109.942 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.549 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 1.48 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.26 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.56 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 1.51 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.41 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 2.89 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 0.56 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 1.97 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 0.3 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.57 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.93 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.26 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 0.58 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.46 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 2.46 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 0.54 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.39 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 3.49 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.15 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 4.85 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 4.59 108.718 175.785 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 120.983 0.421 . . . . 2.14 111.198 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.74 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 1.48 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.26 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.56 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 1.51 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.41 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.89 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 0.56 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 1.97 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 0.3 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.57 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.93 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.26 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.14 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 0.58 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 0.46 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 2.46 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 0.54 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 1.39 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 3.49 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.15 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 4.85 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 4.59 110.705 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 . . . . . 0 C--O 1.233 0.232 0 CA-C-O 120.633 0.254 . . . . 2.14 110.547 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.74 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 1.48 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.26 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.56 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 1.51 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.41 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 2.89 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 0.56 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 1.97 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.3 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.57 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.93 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.26 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.14 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 0.58 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.46 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 2.46 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.54 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 51.2 t60 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 1.39 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . 0.412 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 3.49 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.15 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 4.85 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 24' ' ' MET . 1.5 pp . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 4.59 109.404 169.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.677 -0.49 . . . . 2.14 109.677 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HD22 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.74 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 1.48 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.26 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.56 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 1.51 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.41 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 2.89 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 0.56 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 1.97 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 0.3 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.57 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.93 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.26 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.14 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.58 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 0.46 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 2.46 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 1.39 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 3.49 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.15 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 4.85 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 4.59 111.325 179.092 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.446 -0.642 0 N-CA-C 109.028 -0.73 . . . . 2.14 109.028 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.74 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 1.48 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.26 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.56 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 1.51 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.41 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 2.89 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 0.56 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.7 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 1.97 110.619 174.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 0.3 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.57 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.93 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.26 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.14 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.499 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 0.58 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.46 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 2.46 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.54 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 1.39 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 3.49 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.15 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 4.85 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt . . . . . 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 4.59 109.715 -166.441 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 . . . . . 0 N--CA 1.448 -0.536 0 CA-C-O 121.267 0.556 . . . . 2.14 109.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 1.48 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.26 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.56 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 1.51 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.41 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 2.89 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.56 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 1.97 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 0.3 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.57 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.93 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.26 111.219 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.14 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 0.58 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 0.46 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 2.46 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 0.54 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 1.39 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 3.49 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.15 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 4.85 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.2 mm . . . . . 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 4.59 109.512 177.459 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.894 0.378 . . . . 2.14 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.74 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 1.48 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.26 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.56 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 1.51 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.41 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' N ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 2.89 109.808 177.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 0.56 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 1.97 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 0.3 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.57 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.93 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.26 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.14 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.58 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.46 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 2.46 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 0.54 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 1.39 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 3.49 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.15 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 4.85 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.7 mp . . . . . 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 4.59 108.763 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.879 0.371 . . . . 2.14 111.35 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.74 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 1.48 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.26 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.56 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 1.51 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.41 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 2.89 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 0.56 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 1.97 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 0.3 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.57 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.93 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.26 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.14 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 0.58 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.46 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 2.46 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.54 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 1.39 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 3.49 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.15 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 4.85 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 4.59 110.81 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 CA-C-O 120.904 0.383 . . . . 2.14 110.982 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.591 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.74 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 1.48 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.26 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.56 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 1.51 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.41 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 2.89 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 0.56 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 1.97 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 0.3 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.57 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.93 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.26 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.14 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.58 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 0.46 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.46 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.54 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 1.39 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 3.49 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.15 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 4.85 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt . . . . . 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 4.59 110.415 -177.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 . . . . . 0 C--O 1.233 0.206 0 CA-C-O 120.694 0.283 . . . . 2.14 110.297 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.74 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 1.48 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.26 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.56 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 1.51 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.41 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 2.89 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 0.56 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 1.97 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 0.3 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.57 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.93 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.26 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.14 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.58 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 2.46 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.54 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 1.39 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 3.49 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.15 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 4.85 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm . . . . . 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 4.59 111.059 176.438 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.919 0.39 . . . . 4.03 110.837 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.1 t -89.23 19.14 4.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.188 0.518 . . . . 3.68 109.941 177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.46 ' OD2' ' HB2' ' A' ' 12' ' ' GLN . 6.0 p-10 -140.15 177.71 7.79 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.764 -0.653 . . . . 2.14 109.942 -177.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.549 ' HB3' HD22 ' A' ' 19' ' ' LEU . 96.4 m-85 -129.99 110.28 11.53 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.584 174.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.609 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 34.2 m -82.99 141.55 32.01 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.254 -0.43 . . . . 1.48 111.114 -177.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 51.8 t -76.37 125.61 87.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.302 -0.408 . . . . 0.26 109.992 178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -70.41 2.85 3.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.802 2.335 . . . . 0.56 112.794 -178.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -112.39 -10.03 13.8 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.84 -0.618 . . . . 1.51 110.648 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.0 m -142.93 -178.94 6.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.442 -0.345 . . . . 0.41 110.408 -171.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -98.09 7.06 46.86 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.116 -0.698 . . . . 2.89 109.116 168.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -75.03 134.94 41.3 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.301 -0.863 . . . . 0.56 110.575 178.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.609 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.4 pt20 -124.65 131.07 53.49 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.95 -0.568 . . . . 1.97 109.763 176.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.43 140.33 21.03 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.221 -0.445 . . . . 0.3 110.557 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.47 -18.81 60.58 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.833 2.356 . . . . 0.57 112.858 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -141.69 151.47 43.01 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.427 -0.351 . . . . 1.93 110.453 -179.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 22.7 ptt? -68.58 -31.04 69.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.262 -0.426 . . . . 2.26 111.596 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 21' ' ' ILE . 33.0 t70 -69.69 -37.33 76.58 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.439 -0.578 . . . . 2.14 109.439 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 m -63.91 -41.19 97.73 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.692 -0.686 . . . . 0.58 110.214 176.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 4' ' ' PHE . 49.5 tp -64.65 -38.01 89.54 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.125 -0.488 . . . . 0.46 110.306 177.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -63.22 -34.4 77.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 2.46 110.369 178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 17' ' ' ASP . 76.4 mt -73.63 -35.68 45.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.042 0.449 . . . . 0.54 110.342 176.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -62.32 -55.93 23.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.79 -0.641 . . . . 0.44 110.738 177.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 HG22 ' O ' ' A' ' 19' ' ' LEU . 30.3 m -68.97 -38.44 78.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.337 -0.392 . . . . 1.39 111.141 -179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 12.5 tpt 54.87 61.72 2.84 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 121.323 0.583 . . . . 3.49 110.043 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 62.3 -173.25 0.15 Allowed 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.029 -0.987 . . . . 6.15 110.802 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -141.4 179.19 6.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.041 0.448 . . . . 4.85 110.651 -175.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 9.4 mt -103.3 18.79 4.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 108.718 -0.845 . . . . 4.59 108.718 175.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 . . . . . 0 C--O 1.249 1.045 0 CA-C-N 115.219 -0.901 . . . . 6.15 110.139 -176.671 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.0 m . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.766 0.317 . . . . 4.03 111.312 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 p -157.99 33.06 0.25 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.873 0.844 . . . . 3.68 108.954 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -98.74 171.14 8.29 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.594 -1.184 . . . . 2.14 111.198 -166.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.633 ' HB3' HD22 ' A' ' 19' ' ' LEU . 84.7 m-85 -121.6 160.03 25.21 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.232 -1.025 . . . . 0.74 108.232 175.381 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.607 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 20.2 t -150.08 153.94 37.27 Favored 'General case' 0 C--N 1.32 -0.71 0 C-N-CA 120.107 -0.637 . . . . 1.48 111.073 -175.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.7 t -97.85 116.87 65.7 Favored Pre-proline 0 C--N 1.326 -0.428 0 N-CA-C 109.18 -0.674 . . . . 0.26 109.18 175.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.47 10.82 1.74 Allowed 'Trans proline' 0 CA--C 1.527 0.158 0 C-N-CA 122.68 2.253 . . . . 0.56 112.894 -176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -126.76 3.13 6.71 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.064 -0.517 . . . . 1.51 110.546 -178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 58.2 m -146.29 163.78 34.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.998 -0.546 . . . . 0.41 109.794 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.76 46.68 1.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.024 -0.732 . . . . 2.89 109.024 173.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 57.6 t80 -130.88 125.56 33.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.001 -0.545 . . . . 0.56 110.954 -172.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.607 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 pt20 -122.92 122.74 39.33 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.632 -0.713 . . . . 1.97 109.71 176.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.485 ' HB3' ' HB2' ' A' ' 19' ' ' LEU . . . -100.55 135.17 20.23 Favored Pre-proline 0 C--N 1.319 -0.734 0 CA-C-N 116.392 -0.367 . . . . 0.3 111.036 -175.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -77.04 1.37 8.75 Favored 'Trans proline' 0 N--CA 1.463 -0.295 0 C-N-CA 122.541 2.16 . . . . 0.57 112.117 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -137.06 149.78 47.63 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.893 -0.594 . . . . 1.93 110.482 -177.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.529 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 57.7 ttp -78.72 -43.76 25.04 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.185 -0.461 . . . . 2.26 110.791 -177.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -67.6 -44.64 77.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.122 0.486 . . . . 2.14 110.127 -176.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 30.4 m -57.01 -41.79 79.16 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.262 -0.881 . . . . 0.58 110.737 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.633 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.8 tp -68.22 -37.4 80.81 Favored 'General case' 0 C--O 1.226 -0.175 0 CA-C-N 116.33 -0.395 . . . . 0.46 111.006 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 16' ' ' MET . 28.7 mm-40 -61.42 -36.36 80.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.638 0.256 . . . . 2.46 110.859 -178.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.2 mt -66.89 -41.77 88.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.227 0.537 . . . . 0.54 110.015 174.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.2 t60 -62.14 -43.71 98.23 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 115.501 -0.772 . . . . 0.44 111.163 178.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.495 HG22 ' O ' ' A' ' 19' ' ' LEU . 32.9 m -90.44 6.64 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.898 0.332 . . . . 1.39 111.898 -177.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 16.0 tpt -67.47 -14.79 63.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.99 0.424 . . . . 3.49 110.633 179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.12 -17.69 64.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.876 0.37 . . . . 6.15 110.662 177.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -122.54 144.59 48.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.132 -0.486 . . . . 4.85 110.429 -172.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -96.08 -18.57 6.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.486 -0.325 . . . . 4.59 110.705 179.817 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.753 -0.641 . . . . 6.15 109.871 178.888 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 121.13 0.491 . . . . 4.03 110.175 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -136.1 154.55 50.97 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.76 -0.459 . . . . 3.68 109.76 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 12' ' ' GLN . 19.4 p-10 -95.93 -174.19 3.05 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.511 -0.313 . . . . 2.14 110.547 -178.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.777 ' HB3' HD22 ' A' ' 19' ' ' LEU . 92.0 m-85 -100.11 148.82 24.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.544 -0.298 . . . . 0.74 110.888 -175.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 41.5 t -143.91 144.84 31.91 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.791 0.329 . . . . 1.48 110.443 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.0 t -76.41 116.82 59.73 Favored Pre-proline 0 C--N 1.327 -0.384 0 N-CA-C 109.312 -0.625 . . . . 0.26 109.312 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 26.2 Cg_exo -63.19 -25.67 72.49 Favored 'Trans proline' 0 N--CA 1.471 0.198 0 C-N-CA 123.013 2.475 . . . . 0.56 113.185 -171.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 51.1 mtpt -101.78 8.98 41.23 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.452 -0.34 . . . . 1.51 111.191 -177.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 72.9 m -142.52 -174.01 4.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.299 -0.41 . . . . 0.41 109.963 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.512 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 13.1 mm-40 -118.95 87.93 2.83 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.916 -0.772 . . . . 2.89 108.916 168.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -153.19 120.47 5.86 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.167 -0.924 . . . . 0.56 109.287 -176.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 3' ' ' ASP . 73.9 mt-30 -115.69 116.94 28.94 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.03 -0.532 . . . . 1.97 110.859 -174.051 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -109.61 142.55 25.98 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.3 110.722 -176.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.47 -31.01 9.41 Favored 'Trans proline' 0 CA--C 1.528 0.197 0 C-N-CA 122.547 2.164 . . . . 0.57 112.593 179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -117.7 167.91 10.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.446 -0.343 . . . . 1.93 110.35 -179.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.4 ttp -84.82 -28.56 26.01 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.075 -0.511 . . . . 2.26 110.977 -174.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -65.18 -47.84 75.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.937 0.398 . . . . 2.14 110.641 -176.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.6 m -62.04 -39.15 91.35 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.824 -0.626 . . . . 0.58 110.383 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.777 HD22 ' HB3' ' A' ' 4' ' ' PHE . 20.6 tp -62.6 -46.14 89.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.906 -0.588 . . . . 0.46 110.354 177.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -55.35 -43.74 75.3 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.424 -0.807 . . . . 2.46 111.452 -178.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.0 mt -69.76 -34.91 62.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.296 -0.411 . . . . 0.54 110.756 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' O ' ' HG3' ' A' ' 25' ' ' GLU . 51.2 t60 -70.98 -46.3 62.56 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.532 -0.304 . . . . 0.44 110.846 178.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 19' ' ' LEU . 21.2 t -73.57 -8.13 11.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.148 0.499 . . . . 1.39 110.637 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.412 ' O ' HG13 ' A' ' 27' ' ' ILE . 39.7 tpp -65.38 -8.84 20.56 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.087 -0.506 . . . . 3.49 110.997 178.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.597 ' HG3' ' O ' ' A' ' 22' ' ' HIS . 45.0 mt-10 -54.67 -33.87 61.43 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.246 0.546 . . . . 6.15 111.067 173.101 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' A' ' 8' ' ' LYS . 16.1 m-85 -108.84 51.92 0.73 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.705 -0.679 . . . . 4.85 111.732 -167.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.623 HD12 ' HG3' ' A' ' 28' ' ' GLU . 1.5 pp -89.63 -0.22 8.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.408 -0.814 . . . . 4.59 109.404 169.209 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.623 ' HG3' HD12 ' A' ' 27' ' ' ILE . 46.0 mt-10 . . . . . 0 C--O 1.243 0.752 0 CA-C-N 114.963 -1.017 . . . . 6.15 109.566 175.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.0 p . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 120.711 0.291 . . . . 4.03 111.154 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p -105.96 -16.75 14.55 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.816 0.341 . . . . 3.68 110.992 -178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -98.78 97.12 8.38 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.677 -0.49 . . . . 2.14 109.677 177.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.705 ' HB3' HD22 ' A' ' 19' ' ' LEU . 89.8 m-85 -88.72 99.8 12.63 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.991 -0.549 . . . . 0.74 109.808 -177.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' SG ' ' HG2' ' A' ' 12' ' ' GLN . 33.0 m -94.37 146.66 23.9 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 116.093 -0.503 . . . . 1.48 111.138 -175.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.619 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 42.0 t -79.76 118.22 71.32 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 108.476 -0.935 . . . . 0.26 108.476 172.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -60.41 -21.7 68.65 Favored 'Trans proline' 0 CA--C 1.527 0.156 0 C-N-CA 122.733 2.289 . . . . 0.56 112.787 -175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -98.07 6.57 47.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.902 0.382 . . . . 1.51 110.968 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 81.4 m -138.35 -178.67 5.39 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.144 -0.48 . . . . 0.41 109.883 -178.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -108.7 8.54 26.95 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.276 -1.009 . . . . 2.89 108.276 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -75.2 125.07 28.19 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 113.971 -1.468 . . . . 0.56 110.892 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG2' ' SG ' ' A' ' 5' ' ' CYS . 65.5 mt-30 -109.09 124.98 51.65 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.701 -0.681 . . . . 1.97 109.736 178.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.07 139.7 20.53 Favored Pre-proline 0 C--N 1.322 -0.604 0 CA-C-N 116.461 -0.336 . . . . 0.3 110.97 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -84.71 13.48 2.74 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.811 2.341 . . . . 0.57 112.434 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -150.77 144.68 25.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.388 -0.369 . . . . 1.93 110.576 -179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 27.9 ttt -77.36 -36.26 53.86 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.84 -0.618 . . . . 2.26 111.17 -175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -76.76 -37.83 55.22 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.661 -0.496 . . . . 2.14 109.661 -177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 62.2 m -59.95 -39.86 87.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.537 -0.756 . . . . 0.58 110.291 174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.7 tp -64.86 -41.79 95.39 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.499 -0.319 . . . . 0.46 110.19 176.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -55.3 -44.42 75.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.991 -0.549 . . . . 2.46 110.618 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 75.3 mt -67.31 -41.57 86.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.216 -0.447 . . . . 0.54 110.644 178.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -57.45 -49.26 76.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.44 110.96 177.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 19' ' ' LEU . 26.5 t -74.72 -42.69 47.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.157 -0.474 . . . . 1.39 110.603 -178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 54.0 ttm 62.68 -86.75 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.904 0.482 . . . . 3.49 111.246 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -163.27 116.35 1.56 Allowed 'General case' 0 N--CA 1.453 -0.29 0 CA-C-O 120.885 0.374 . . . . 6.15 111.902 -174.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.1 m-85 -133.15 2.48 3.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.965 -0.561 . . . . 4.85 110.233 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 70.1 mt 71.39 -68.45 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-N 115.428 -0.806 . . . . 4.59 111.325 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.245 0.844 0 CA-C-O 119.063 -0.494 . . . . 6.15 110.998 -177.55 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.5 m . . . . . 0 N--CA 1.48 1.058 0 CA-C-O 120.964 0.412 . . . . 4.03 110.748 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 m -78.73 -19.44 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 108.709 -0.849 . . . . 3.68 108.709 173.105 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -88.54 141.26 28.67 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.549 -1.205 . . . . 2.14 109.028 169.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.8 m-85 -116.32 116.24 27.37 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 120.821 0.343 . . . . 0.74 110.233 -177.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.7 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 24.0 p -95.07 147.26 23.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.76 0.314 . . . . 1.48 111.041 -178.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.529 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 41.9 t -78.72 114.12 40.87 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 108.959 -0.756 . . . . 0.26 108.959 176.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -59.53 -24.89 76.88 Favored 'Trans proline' 0 N--CA 1.473 0.3 0 C-N-CA 123.011 2.474 . . . . 0.56 112.784 -175.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 38.5 mtpt -97.22 10.16 40.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.335 0.588 . . . . 1.51 110.322 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.529 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 75.2 m -142.29 -171.09 3.32 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.521 -0.763 . . . . 0.41 109.451 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -109.85 2.11 19.69 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.008 -0.738 . . . . 2.89 109.008 171.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.7 t80 -77.24 131.77 38.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 114.557 -1.201 . . . . 0.56 111.606 -175.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.7 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -115.97 139.37 50.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.214 -0.448 . . . . 1.97 110.619 174.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -111.24 145.62 32.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.937 -0.574 . . . . 0.3 110.169 179.442 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.38 -13.16 20.72 Favored 'Trans proline' 0 CA--C 1.531 0.352 0 C-N-CA 122.389 2.059 . . . . 0.57 114.076 -175.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -145.37 163.61 34.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.846 -0.342 . . . . 1.93 110.805 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.8 ttt -64.42 -44.64 90.57 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.677 -0.692 . . . . 2.26 111.482 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 21' ' ' ILE . 0.4 OUTLIER -62.88 -34.91 78.39 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 121.074 0.464 . . . . 2.14 110.177 -177.368 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.499 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 3.5 m -67.98 -41.84 81.74 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 115.687 -0.688 . . . . 0.58 110.631 -175.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.614 HD22 ' HB3' ' A' ' 4' ' ' PHE . 53.5 tp -70.14 -37.92 75.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 0.46 109.984 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.3 tp-100 -58.76 -37.61 76.65 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.776 -0.647 . . . . 2.46 110.504 -178.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 17' ' ' ASP . 53.3 mt -77.47 -35.48 22.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.54 110.754 177.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -64.63 -52.28 58.26 Favored 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 116.611 -0.268 . . . . 0.44 111.013 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.5 p -72.52 -18.38 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-O 121.045 0.45 . . . . 1.39 110.33 -178.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 63.3 mtt 65.54 -84.6 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.334 -0.848 . . . . 3.49 111.384 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -169.74 129.79 1.0 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 112.935 0.717 . . . . 6.15 112.935 -177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -148.1 3.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.248 -0.887 . . . . 4.85 109.52 171.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 56.6 mt 52.28 79.91 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 CA-C-N 115.748 -0.66 . . . . 4.59 109.715 -166.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 55.4 mm-40 . . . . . 0 C--O 1.245 0.861 0 CA-C-N 115.669 -0.696 . . . . 6.15 110.496 -176.427 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 120.444 0.164 . . . . 4.03 110.724 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.2 m -84.15 18.06 2.27 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 121.662 0.744 . . . . 3.68 110.136 178.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -110.26 104.87 13.74 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.23 -0.895 . . . . 2.14 109.873 176.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.714 ' HB3' HD22 ' A' ' 19' ' ' LEU . 87.8 m-85 -94.73 94.65 8.24 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.625 -0.716 . . . . 0.74 109.638 179.659 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.606 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 27.0 p -89.56 141.43 28.59 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.763 0.316 . . . . 1.48 110.54 -177.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.427 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 50.6 t -75.53 116.76 57.93 Favored Pre-proline 0 C--N 1.325 -0.49 0 N-CA-C 109.025 -0.732 . . . . 0.26 109.025 174.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 25.7 Cg_exo -60.85 -28.01 85.72 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.695 2.264 . . . . 0.56 112.154 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.64 12.02 36.65 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.775 -0.648 . . . . 1.51 111.307 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 76.7 m -145.14 -177.29 5.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.951 -0.568 . . . . 0.41 110.258 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -102.72 6.26 39.38 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.246 0.546 . . . . 2.89 109.885 173.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -80.97 134.09 35.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.657 -0.701 . . . . 0.56 111.111 -176.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.606 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 39.9 mt-30 -121.75 132.18 54.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 1.97 110.098 177.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.415 ' HB1' ' HB ' ' A' ' 18' ' ' THR . . . -106.83 145.57 31.35 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.335 -0.393 . . . . 0.3 110.419 178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -83.54 -0.04 9.62 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.611 2.208 . . . . 0.57 113.093 -179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -157.36 173.51 16.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.498 -0.319 . . . . 1.93 110.834 -177.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -73.63 -43.19 60.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.975 -0.557 . . . . 2.26 111.219 -176.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -62.55 -45.07 94.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 2.14 111.011 -173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.415 ' HB ' ' HB1' ' A' ' 13' ' ' ALA . 87.0 m -58.56 -38.45 77.87 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.003 -0.544 . . . . 0.58 110.751 177.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD22 ' HB3' ' A' ' 4' ' ' PHE . 21.6 tp -72.06 -36.36 69.56 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 110.055 -0.35 . . . . 0.46 110.055 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -58.13 -38.47 76.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.088 -0.506 . . . . 2.46 110.517 178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 61.0 mt -73.13 -48.01 45.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.896 -0.593 . . . . 0.54 110.595 177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 68.8 t60 -59.85 -47.55 85.27 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.991 -0.549 . . . . 0.44 110.634 -179.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.448 ' O ' HG12 ' A' ' 23' ' ' VAL . 14.1 t -97.61 34.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.488 0.661 . . . . 1.39 110.024 -179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 57.9 ttp -70.0 -28.06 65.2 Favored 'General case' 0 C--N 1.333 -0.112 0 N-CA-C 108.0 -1.111 . . . . 3.49 108.0 165.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -82.99 148.69 27.43 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 114.663 -1.153 . . . . 6.15 108.992 168.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 64.35 69.35 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 123.754 0.659 . . . . 4.85 110.319 -178.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' A' ' 28' ' ' GLU . 49.2 mm -61.38 -65.41 0.5 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 109.512 -0.551 . . . . 4.59 109.512 177.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' HB2' ' O ' ' A' ' 27' ' ' ILE . 7.5 tp10 . . . . . 0 C--O 1.246 0.901 0 N-CA-C 108.881 -0.785 . . . . 6.15 108.881 173.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.683 0.277 . . . . 4.03 110.828 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.5 m -89.45 50.06 1.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.428 0.632 . . . . 3.68 109.623 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -87.49 111.28 21.02 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.469 -0.787 . . . . 2.14 110.482 -175.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' HB3' HD22 ' A' ' 19' ' ' LEU . 48.2 m-85 -96.9 114.06 25.65 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.101 -0.5 . . . . 0.74 109.972 -178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 56.5 m -93.26 146.58 23.6 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 110.144 -0.317 . . . . 1.48 110.144 -179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.9 t -78.18 113.22 31.68 Favored Pre-proline 0 C--N 1.323 -0.571 0 N-CA-C 108.927 -0.768 . . . . 0.26 108.927 175.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -69.97 -12.08 31.82 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.502 2.135 . . . . 0.56 112.485 -171.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.6 mmtp -104.66 7.92 35.03 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.922 -0.581 . . . . 1.51 110.365 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 79.6 m -143.63 -169.82 3.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.883 -0.599 . . . . 0.41 109.89 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' N ' HE21 ' A' ' 10' ' ' GLN . 0.0 OUTLIER -109.79 1.39 19.31 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.435 0.636 . . . . 2.89 109.808 177.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -80.16 130.61 35.35 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.092 -0.958 . . . . 0.56 111.726 -175.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.7 tt0 -107.19 123.4 48.22 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.583 -0.735 . . . . 1.97 109.707 173.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.03 118.54 54.8 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-O 120.953 0.406 . . . . 0.3 110.316 178.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_endo -74.41 8.86 2.02 Favored 'Trans proline' 0 CA--C 1.531 0.325 0 C-N-CA 122.789 2.326 . . . . 0.57 112.811 -177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -151.23 154.6 37.13 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.767 -0.457 . . . . 1.93 109.767 176.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.5 ttt -68.98 -37.75 78.94 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.175 -0.466 . . . . 2.26 111.493 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -61.68 -50.31 73.0 Favored 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 120.931 0.396 . . . . 2.14 110.92 -176.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.5 m -59.78 -39.15 83.96 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.594 -0.73 . . . . 0.58 110.999 -178.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 HD22 ' HB3' ' A' ' 4' ' ' PHE . 50.2 tp -64.76 -45.96 84.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.405 -0.361 . . . . 0.46 110.571 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.3 tp60 -61.53 -38.36 87.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 2.46 111.074 -176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 35.9 mt -75.0 -34.36 32.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 121.132 0.491 . . . . 0.54 110.527 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 52.1 t60 -67.5 -52.25 41.37 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.939 -0.573 . . . . 0.44 111.159 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.0 p -69.84 -33.28 55.21 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 CA-C-N 116.208 -0.451 . . . . 1.39 111.226 -174.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 38.0 mtm 66.02 -77.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 O-C-N 123.428 0.455 . . . . 3.49 111.208 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -135.59 143.74 45.79 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.986 -0.746 . . . . 6.15 108.986 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -149.09 139.5 22.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.093 0.473 . . . . 4.85 111.761 -171.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.42 ' N ' HD12 ' A' ' 27' ' ' ILE . 3.7 mp -107.92 101.93 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.763 -0.829 . . . . 4.59 108.763 174.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.433 -0.794 . . . . 6.15 109.768 -177.718 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 2.2 p . . . . . 0 N--CA 1.477 0.909 0 CA-C-O 120.86 0.362 . . . . 4.03 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -94.08 138.49 32.1 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.348 -0.612 . . . . 3.68 109.348 176.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -79.74 -93.96 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.879 0.371 . . . . 2.14 111.35 -173.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.62 ' HB3' HD22 ' A' ' 19' ' ' LEU . 98.6 m-85 -128.41 101.74 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.089 0.471 . . . . 0.74 110.598 -177.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.519 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.3 p -88.17 148.81 24.22 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.078 -0.51 . . . . 1.48 110.815 -178.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 48.8 t -85.45 109.22 19.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 109.148 -0.686 . . . . 0.26 109.148 173.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 5' ' ' CYS . 51.0 Cg_exo -55.36 -33.42 85.31 Favored 'Trans proline' 0 N--CA 1.473 0.294 0 C-N-CA 122.96 2.44 . . . . 0.56 112.446 -178.256 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -76.51 -11.64 59.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.554 -0.748 . . . . 1.51 111.35 -178.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 61.8 m -136.72 -167.87 2.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.41 110.795 -173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -103.35 -21.89 13.76 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.022 -0.733 . . . . 2.89 109.022 173.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -53.12 133.35 39.0 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 114.432 -1.258 . . . . 0.56 112.16 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.519 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 46.2 mt-30 -121.52 135.87 54.99 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.842 -0.617 . . . . 1.97 109.894 174.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.26 149.35 41.33 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.384 -0.371 . . . . 0.3 110.496 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -77.6 -11.03 17.18 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.647 2.231 . . . . 0.57 112.913 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -139.74 149.84 44.09 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.452 -0.34 . . . . 1.93 110.734 -175.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 49.2 ttp -69.6 -40.66 76.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 2.26 111.167 -176.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 21' ' ' ILE . 28.1 m-20 -71.66 -37.92 70.74 Favored 'General case' 0 CA--C 1.514 -0.425 0 CA-C-O 121.03 0.443 . . . . 2.14 110.001 -178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 37.6 m -59.39 -43.44 92.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.638 -0.71 . . . . 0.58 109.835 173.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.62 HD22 ' HB3' ' A' ' 4' ' ' PHE . 51.6 tp -64.92 -41.31 95.65 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 115.777 -0.647 . . . . 0.46 110.261 176.079 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -56.95 -42.26 79.77 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.017 -0.538 . . . . 2.46 110.863 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 17' ' ' ASP . 73.9 mt -65.78 -38.63 82.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.974 0.416 . . . . 0.54 110.241 176.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -63.86 -49.88 71.02 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.213 -0.449 . . . . 0.44 110.632 176.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 19' ' ' LEU . 15.2 t -72.3 -7.32 9.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.122 0.487 . . . . 1.39 110.69 -177.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 48.3 ttp -70.72 -11.07 60.72 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.316 -0.402 . . . . 3.49 110.379 176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -61.52 -28.15 69.11 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.271 0.558 . . . . 6.15 110.096 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 36.6 m-85 -126.85 -178.06 4.26 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.653 -0.703 . . . . 4.85 109.119 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' H ' HD13 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -131.69 138.91 51.82 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 121.015 0.436 . . . . 4.59 110.81 179.15 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.313 -0.851 . . . . 6.15 109.446 174.887 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.5 m . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.93 0.395 . . . . 4.03 110.646 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.9 m -146.38 27.09 1.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.571 -0.9 . . . . 3.68 108.571 174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.65 156.35 16.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.508 -1.223 . . . . 2.14 110.982 -169.11 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.591 ' HB3' HD22 ' A' ' 19' ' ' LEU . 94.6 m-85 -92.04 95.61 9.88 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 108.479 -0.934 . . . . 0.74 108.479 172.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 10.3 p -101.64 146.28 27.94 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.152 -0.476 . . . . 1.48 111.659 -173.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 9' ' ' CYS . 45.1 t -76.38 125.59 87.43 Favored Pre-proline 0 C--N 1.33 -0.246 0 N-CA-C 109.003 -0.74 . . . . 0.26 109.003 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 6' ' ' CYS . 24.1 Cg_exo -62.83 -37.27 56.36 Favored 'Trans proline' 0 N--CA 1.475 0.432 0 C-N-CA 122.822 2.348 . . . . 0.56 112.529 -173.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -80.32 -10.01 59.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 1.51 111.111 -178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.498 ' HB2' ' HB3' ' A' ' 6' ' ' CYS . 63.7 m -122.17 179.24 4.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.093 0.473 . . . . 0.41 110.853 -175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -107.73 10.87 28.76 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.624 -0.88 . . . . 2.89 108.624 171.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -74.72 125.71 29.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 114.456 -1.247 . . . . 0.56 110.559 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.412 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 19.3 pt20 -117.54 140.29 49.82 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.068 -0.515 . . . . 1.97 109.935 178.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.23 131.86 24.36 Favored Pre-proline 0 C--N 1.319 -0.731 0 N-CA-C 110.14 -0.318 . . . . 0.3 110.14 177.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.99 -27.26 50.48 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.58 2.187 . . . . 0.57 111.96 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -120.76 149.9 41.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.813 -0.63 . . . . 1.93 110.139 178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 24.0 ptm -72.34 -26.3 61.87 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.194 -0.457 . . . . 2.26 111.69 -175.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -61.96 -46.7 88.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.764 0.316 . . . . 2.14 110.564 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.5 m -59.93 -43.72 94.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.294 -0.412 . . . . 0.58 111.165 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.591 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.1 tp -63.95 -39.82 95.02 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.744 0.307 . . . . 0.46 110.419 179.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.1 tt0 -64.6 -35.85 82.34 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.93 -0.577 . . . . 2.46 110.687 -179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 71.0 mt -74.86 -30.27 23.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.198 0.523 . . . . 0.54 110.405 176.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -65.7 -55.25 18.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.99 -0.55 . . . . 0.44 110.58 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 35.6 m -79.07 -25.95 13.08 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.411 0 CA-C-N 116.578 -0.283 . . . . 1.39 111.454 -177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 21.8 ttt 66.19 -92.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.195 0.598 . . . . 3.49 110.831 -178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -152.84 99.91 2.47 Favored 'General case' 0 N--CA 1.462 0.171 0 N-CA-C 112.345 0.498 . . . . 6.15 112.345 -178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -136.8 91.16 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.147 0.499 . . . . 4.85 109.857 174.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.9 tt -119.16 101.25 11.23 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.653 0 CA-C-O 121.535 0.683 . . . . 4.59 110.415 -177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--O 1.247 0.946 0 CA-C-O 118.436 -0.793 . . . . 6.15 109.205 -179.26 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 52.7 m . . . . . 0 N--CA 1.476 0.842 0 N-CA-C 111.382 0.141 . . . . 4.03 111.382 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.1 p -79.67 -12.08 59.83 Favored 'General case' 0 C--O 1.231 0.087 0 CA-C-O 121.612 0.72 . . . . 3.68 109.603 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -79.6 169.46 17.98 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.864 -1.062 . . . . 2.14 110.297 176.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.612 ' HB3' HD22 ' A' ' 19' ' ' LEU . 64.7 m-85 -116.03 104.9 12.04 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.691 -0.485 . . . . 0.74 109.691 179.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' HA ' ' A' ' 12' ' ' GLN . 7.9 p -98.87 146.17 26.24 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.449 -0.341 . . . . 1.48 111.615 -175.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 53.8 t -70.76 117.65 57.69 Favored Pre-proline 0 C--N 1.331 -0.21 0 N-CA-C 109.062 -0.718 . . . . 0.26 109.062 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -70.13 -3.16 11.69 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.717 2.278 . . . . 0.56 112.408 -175.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 49.1 mttm -106.96 -3.48 20.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.515 -0.766 . . . . 1.51 110.448 -179.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 69.1 m -141.99 179.45 6.87 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.994 0.426 . . . . 0.41 110.994 -173.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -103.89 53.63 0.75 Allowed 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.965 -0.754 . . . . 2.89 108.965 172.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -129.28 124.0 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.297 -0.865 . . . . 0.56 110.586 -174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.515 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 4.1 pt20 -108.02 135.75 48.87 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.316 -0.402 . . . . 1.97 110.173 175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -115.43 139.61 24.83 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.249 -0.432 . . . . 0.3 110.167 178.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -78.97 1.01 9.53 Favored 'Trans proline' 0 N--CA 1.465 -0.201 0 C-N-CA 122.467 2.111 . . . . 0.57 112.706 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -149.61 147.38 28.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.413 -0.358 . . . . 1.93 110.424 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.433 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 24.6 ptt? -73.54 -33.46 64.73 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.97 -0.559 . . . . 2.26 111.913 -176.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' O ' HG13 ' A' ' 21' ' ' ILE . 21.3 t70 -72.0 -38.53 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.346 -0.613 . . . . 2.14 109.346 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.2 m -61.13 -38.94 88.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.462 -0.79 . . . . 0.58 109.992 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.612 HD22 ' HB3' ' A' ' 4' ' ' PHE . 58.2 tp -63.17 -43.96 96.8 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.962 -0.563 . . . . 0.46 110.568 178.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 16' ' ' MET . 79.8 mm-40 -60.04 -33.49 72.11 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.807 0.337 . . . . 2.46 110.949 179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 17' ' ' ASP . 71.1 mt -68.76 -42.89 83.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.315 -0.402 . . . . 0.54 110.301 176.183 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -60.1 -46.22 90.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.44 110.711 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 19' ' ' LEU . 13.7 t -67.12 -49.22 75.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 N-CA-C 109.942 -0.392 . . . . 1.39 109.942 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . . . . . . . . . 17.0 tpt 69.35 -51.36 0.61 Allowed 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 123.613 0.765 . . . . 3.49 112.145 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -115.97 118.43 32.9 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.852 0.358 . . . . 6.15 111.022 -176.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.522 ' HE1' ' HB ' ' A' ' 23' ' ' VAL . 0.5 OUTLIER -116.51 -18.28 10.42 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.137 -0.483 . . . . 4.85 110.021 -177.172 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 29.5 mm 72.78 -4.47 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.493 0 CA-C-N 115.199 -0.91 . . . . 4.59 111.059 176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 . . . . . 0 C--O 1.251 1.133 0 N-CA-C 109.469 -0.567 . . . . 6.15 109.469 172.728 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_