data_2ech_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 2ech _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' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp . . . . . 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.253 0.549 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.407 HD21 ' H ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 119.694 -0.193 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.826 0.822 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.401 HD21 ' H ' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.725 0.298 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -116.08 93.82 4.4 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.787 1.635 . . . . 0.0 107.74 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -85.34 79.87 9.34 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.687 1.195 . . . . 0.0 107.855 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -122.2 128.15 50.85 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -82.29 63.76 6.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.337 1.855 . . . . 0.0 110.601 -173.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.61 149.66 34.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.888 1.675 . . . . 0.0 110.929 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -152.86 148.85 27.65 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.683 1.193 . . . . 0.0 110.089 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.89 -63.76 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.26 1.409 . . . . 0.0 111.031 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -115.78 -69.92 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.59 1.556 . . . . 0.0 108.811 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.29 111.49 11.78 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.903 1.681 . . . . 0.0 107.313 170.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -94.04 75.29 4.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.32 1.048 . . . . 0.0 109.62 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.8 -169.11 0.18 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.6 1.96 . . . . 0.0 111.732 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -75.44 143.21 42.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -135.27 89.04 24.17 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 127.02 2.128 . . . . 0.0 106.135 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.47 -80.59 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 124.954 3.769 . . . . 0.0 112.944 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.8 m80 33.27 54.76 0.46 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.001 2.52 . . . . 0.0 114.151 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -70.89 94.44 1.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.256 1.422 . . . . 0.0 109.225 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.63 -84.29 0.2 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.495 1.522 . . . . 0.0 109.552 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.0 143.87 29.59 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.898 3.066 . . . . 0.0 111.016 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 144.62 56.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 111.653 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.2 p 50.66 56.64 7.66 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.796 2.038 . . . . 0.0 112.585 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.893 0.378 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.95 127.04 24.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.955 1.702 . . . . 0.0 110.192 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.22 120.19 16.43 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 158.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.93 -151.6 0.39 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 82.11 -68.37 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.273 1.429 . . . . 0.0 114.036 150.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.54 172.05 12.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.885 1.674 . . . . 0.0 110.495 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -161.46 122.15 2.73 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.333 1.453 . . . . 0.0 108.18 167.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.3 54.39 36.18 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.5 1.524 . . . . 0.0 112.877 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.17 -86.17 0.35 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.36 1.464 . . . . 0.0 107.686 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -86.87 -124.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 107.792 168.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 91.4 mtp -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.834 1.254 . . . . 0.0 107.706 159.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.22 -165.75 1.22 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.406 -147.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -78.21 140.85 38.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -122.1 109.2 33.7 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.651 1.98 . . . . 0.0 107.935 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -43.12 -21.08 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.753 1 C-N-CA 127.174 5.249 . . . . 0.0 118.682 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -86.74 64.79 8.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.318 1.447 . . . . 0.0 110.487 -167.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -61.68 154.71 24.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.735 1.614 . . . . 0.0 111.492 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -158.21 12.39 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.676 0.655 . . . . 0.0 111.989 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -50.09 -54.09 6.02 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.943 3.762 . . . . 0.0 113.365 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.51 108.19 20.56 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.401 1.48 . . . . 0.0 108.898 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -151.37 90.91 1.62 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.545 1.138 . . . . 0.0 109.218 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.592 -0.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.966 0.412 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -149.84 137.81 20.29 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.781 1.232 . . . . 0.0 110.458 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.69 119.84 19.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -112.03 120.47 41.96 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -60.33 -54.79 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.668 1.587 . . . . 0.0 110.546 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.84 173.09 0.08 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.454 1.502 . . . . 0.0 113.555 172.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -148.31 168.05 23.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.895 1.678 . . . . 0.0 110.374 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.21 -100.65 1.91 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.197 1.38 . . . . 0.0 112.542 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.32 -58.12 6.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.998 1.319 . . . . 0.0 110.792 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.56 138.62 53.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.689 1.996 . . . . 0.0 106.834 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.9 ptp -140.88 116.02 9.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.658 1.183 . . . . 0.0 108.677 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 90.66 142.14 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 129.943 3.297 . . . . 0.0 108.896 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -63.23 164.64 8.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.75 93.26 32.04 Favored Pre-proline 0 N--CA 1.45 -0.452 0 C-N-CA 126.046 1.738 . . . . 0.0 109.226 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.02 98.92 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.292 2.661 . . . . 0.0 107.431 152.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -50.85 -28.1 8.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.517 1.927 . . . . 0.0 113.601 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -58.27 -49.02 78.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.365 2.266 . . . . 0.0 111.48 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 83.74 0.35 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.436 1.969 . . . . 0.0 110.382 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.38 -6.81 19.76 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.048 3.166 . . . . 0.0 114.395 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.01 78.75 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.663 1.185 . . . . 0.0 110.385 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.9 m -69.09 -52.05 32.43 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.836 1.254 . . . . 0.0 109.461 167.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.089 0 O-C-N 122.274 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.53 0.681 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.9 p -70.84 140.35 51.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.279 1.831 . . . . 0.0 111.456 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.71 56.03 2.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.674 1.99 . . . . 0.0 110.139 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.11 -104.97 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -169.12 -52.72 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.053 1.341 . . . . 0.0 111.176 170.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -36.42 111.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.206 2.603 . . . . 0.0 115.023 -164.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.31 128.31 36.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.439 1.096 . . . . 0.0 109.048 169.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -164.0 35.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.012 0.815 . . . . 0.0 112.026 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -71.48 -83.71 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.291 1.036 . . . . 0.0 110.16 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -113.17 59.27 0.65 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.519 1.527 . . . . 0.0 109.317 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.3 mtt -122.08 -51.57 2.0 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.936 2.094 . . . . 0.0 109.477 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.25 164.09 23.54 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.418 1.887 . . . . 0.0 111.881 170.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.407 HD21 ' H ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 48.07 0.6 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 67.66 93.2 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.055 1.742 . . . . 0.0 111.981 166.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.16 87.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 1 C-N-CA 126.083 4.522 . . . . 0.0 113.922 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 m80 66.67 24.33 10.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.505 2.322 . . . . 0.0 114.211 169.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt 63.58 178.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.142 1.777 . . . . 0.0 112.692 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 170.22 45.78 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.311 0.957 . . . . 0.0 112.665 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.74 156.19 61.25 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.519 3.479 . . . . 0.0 111.448 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.38 -56.88 0.6 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.905 2.082 . . . . 0.0 112.568 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 m -146.31 -51.31 0.23 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.769 1.628 . . . . 0.0 109.494 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.082 0 O-C-N 121.885 -0.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.533 0.206 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 p -113.47 124.95 53.62 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.314 1.845 . . . . 0.0 110.704 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.08 108.9 4.85 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 124.892 1.277 . . . . 0.0 107.61 167.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -140.09 134.42 31.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -84.24 91.33 7.71 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 126.927 2.091 . . . . 0.0 110.31 -170.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.56 -176.61 1.3 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.41 1.884 . . . . 0.0 111.932 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 134.97 42.28 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.3 1.04 . . . . 0.0 110.012 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.22 -175.15 46.18 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.724 1.154 . . . . 0.0 113.53 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.05 -34.21 71.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.674 1.589 . . . . 0.0 111.441 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.87 -175.54 4.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.914 2.086 . . . . 0.0 110.636 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.5 mtt 75.64 -32.67 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.771 2.428 . . . . 0.0 114.334 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.99 159.56 9.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.9 2.08 . . . . 0.0 110.881 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.92 139.98 40.36 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -155.11 92.42 2.81 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 125.803 1.641 . . . . 0.0 106.829 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.53 -62.51 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.821 3.68 . . . . 0.0 112.651 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -156.12 29.85 0.35 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.709 2.004 . . . . 0.0 110.474 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.38 -2.62 46.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.376 1.47 . . . . 0.0 113.77 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.87 72.36 0.08 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.92 123.28 8.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.976 3.117 . . . . 0.0 110.667 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.65 27.5 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.568 1.147 . . . . 0.0 111.556 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -97.99 70.91 2.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.817 1.247 . . . . 0.0 107.906 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.036 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.608 0.242 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.3 t -133.18 150.89 51.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 109.946 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.95 102.46 1.6 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 167.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -86.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 105.36 125.31 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 130.349 3.46 . . . . 0.0 110.375 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.12 -118.25 0.16 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 127.533 2.333 . . . . 0.0 107.517 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -74.66 -171.87 1.38 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.844 1.258 . . . . 0.0 110.709 171.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.9 -51.24 46.73 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.191 1.377 . . . . 0.0 113.14 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -128.88 -42.66 1.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.943 1.697 . . . . 0.0 110.826 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.22 131.53 46.36 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.477 1.911 . . . . 0.0 111.181 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.4 mtm 66.78 14.24 9.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.425 2.69 . . . . 0.0 115.577 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.49 -175.61 1.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.149 1.78 . . . . 0.0 110.4 168.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -87.58 62.11 6.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 50.89 100.29 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.797 2.039 . . . . 0.0 114.902 158.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.93 -32.25 12.44 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 125.265 3.977 . . . . 0.0 116.539 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -68.96 -30.87 69.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.537 1.135 . . . . 0.0 112.774 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -84.37 -58.72 2.63 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.1 1.36 . . . . 0.0 111.423 -170.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.29 -85.01 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.51 148.1 25.94 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.663 2.908 . . . . 0.0 111.37 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.5 -61.54 1.88 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.186 0.994 . . . . 0.0 108.912 169.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -63.15 166.92 5.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.172 1.789 . . . . 0.0 112.49 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.043 0 O-C-N 121.779 -0.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.982 0.42 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -66.06 141.71 58.05 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.946 1.299 . . . . 0.0 111.543 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.61 -21.01 63.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.897 1.279 . . . . 0.0 112.199 163.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -81.34 -54.31 5.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 76.29 80.1 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.476 1.91 . . . . 0.0 109.894 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.3 49.96 19.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 127.794 2.438 . . . . 0.0 113.995 172.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -144.2 145.45 32.08 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.722 1.609 . . . . 0.0 109.162 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -73.99 2.38 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.834 1.206 . . . . 0.0 111.993 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.44 -76.51 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.585 1.154 . . . . 0.0 111.435 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -144.54 -121.79 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.599 1.16 . . . . 0.0 109.637 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -127.55 93.87 3.83 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 126.002 1.721 . . . . 0.0 107.574 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 75.75 148.25 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.335 2.254 . . . . 0.0 110.704 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -81.77 58.92 4.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 54.36 96.98 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.792 2.037 . . . . 0.0 112.284 165.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.93 -38.38 6.92 Favored 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.314 4.009 . . . . 0.0 116.346 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -64.6 -39.02 92.98 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.182 1.393 . . . . 0.0 112.613 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.21 -78.58 0.47 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.645 1.578 . . . . 0.0 109.053 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.09 43.2 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.378 1.466 . . . . 0.0 112.485 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -79.86 169.47 17.97 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.228 3.286 . . . . 0.0 112.187 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.16 58.23 4.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.245 1.418 . . . . 0.0 110.506 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 153.24 4.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.615 1.966 . . . . 0.0 109.328 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.735 0.302 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -64.2 131.83 48.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.304 1.442 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -82.27 65.31 7.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.078 1.751 . . . . 0.0 109.636 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -148.02 137.1 22.05 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -85.7 84.79 7.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.961 1.704 . . . . 0.0 108.237 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.61 55.85 3.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.461 1.504 . . . . 0.0 111.845 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.93 100.95 8.32 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.958 1.303 . . . . 0.0 108.234 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.25 0.05 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -72.88 -59.63 2.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.413 1.085 . . . . 0.0 109.567 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -111.3 -139.95 0.38 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 108.238 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -157.83 132.11 8.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.033 1.733 . . . . 0.0 107.4 168.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 79.59 162.21 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.713 2.005 . . . . 0.0 112.0 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.401 HD21 ' H ' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -87.5 72.94 9.59 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 31.57 88.56 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 C-N-CA 127.581 2.352 . . . . 0.0 113.903 164.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.03 81.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 125.285 3.99 . . . . 0.0 112.988 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -58.83 -43.68 90.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.925 1.69 . . . . 0.0 112.544 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -70.2 99.63 1.54 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.554 1.542 . . . . 0.0 107.583 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 79.54 0.43 Allowed Glycine 0 CA--C 1.535 1.32 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -161.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.61 125.77 8.08 Favored 'Trans proline' 0 C--N 1.352 0.714 1 C-N-CA 125.565 4.176 . . . . 0.0 114.635 -167.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 71.95 -30.37 0.21 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.887 2.075 . . . . 0.0 114.318 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 m -75.96 103.83 6.21 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.902 1.681 . . . . 0.0 109.617 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.074 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 18' ' ' THR . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 14' ' ' LEU . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp . . . . . 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' HD21 ' A' ' 14' ' ' LEU . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.253 0.549 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 119.694 -0.193 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.826 0.822 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 32' ' ' CYS . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.725 0.298 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -116.08 93.82 4.4 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.787 1.635 . . . . 0.0 107.74 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -85.34 79.87 9.34 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.687 1.195 . . . . 0.0 107.855 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 18' ' ' THR . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 14' ' ' LEU . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -122.2 128.15 50.85 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -82.29 63.76 6.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.337 1.855 . . . . 0.0 110.601 -173.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.61 149.66 34.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.888 1.675 . . . . 0.0 110.929 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -152.86 148.85 27.65 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.683 1.193 . . . . 0.0 110.089 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.89 -63.76 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.26 1.409 . . . . 0.0 111.031 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -115.78 -69.92 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.59 1.556 . . . . 0.0 108.811 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.29 111.49 11.78 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.903 1.681 . . . . 0.0 107.313 170.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -94.04 75.29 4.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.32 1.048 . . . . 0.0 109.62 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.8 -169.11 0.18 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.6 1.96 . . . . 0.0 111.732 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -75.44 143.21 42.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -135.27 89.04 24.17 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 127.02 2.128 . . . . 0.0 106.135 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.47 -80.59 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 124.954 3.769 . . . . 0.0 112.944 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.8 m80 33.27 54.76 0.46 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.001 2.52 . . . . 0.0 114.151 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -70.89 94.44 1.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.256 1.422 . . . . 0.0 109.225 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.63 -84.29 0.2 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.495 1.522 . . . . 0.0 109.552 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.0 143.87 29.59 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.898 3.066 . . . . 0.0 111.016 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 144.62 56.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 111.653 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.2 p 50.66 56.64 7.66 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.796 2.038 . . . . 0.0 112.585 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.893 0.378 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.95 127.04 24.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.955 1.702 . . . . 0.0 110.192 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.22 120.19 16.43 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 158.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' HD21 ' A' ' 14' ' ' LEU . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.93 -151.6 0.39 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 82.11 -68.37 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.273 1.429 . . . . 0.0 114.036 150.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.54 172.05 12.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.885 1.674 . . . . 0.0 110.495 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -161.46 122.15 2.73 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.333 1.453 . . . . 0.0 108.18 167.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.3 54.39 36.18 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.5 1.524 . . . . 0.0 112.877 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.17 -86.17 0.35 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.36 1.464 . . . . 0.0 107.686 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -86.87 -124.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 107.792 168.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 91.4 mtp -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.834 1.254 . . . . 0.0 107.706 159.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.22 -165.75 1.22 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.406 -147.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -78.21 140.85 38.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -122.1 109.2 33.7 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.651 1.98 . . . . 0.0 107.935 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -43.12 -21.08 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.753 1 C-N-CA 127.174 5.249 . . . . 0.0 118.682 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -86.74 64.79 8.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.318 1.447 . . . . 0.0 110.487 -167.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -61.68 154.71 24.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.735 1.614 . . . . 0.0 111.492 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -158.21 12.39 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.676 0.655 . . . . 0.0 111.989 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -50.09 -54.09 6.02 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.943 3.762 . . . . 0.0 113.365 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.51 108.19 20.56 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.401 1.48 . . . . 0.0 108.898 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -151.37 90.91 1.62 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.545 1.138 . . . . 0.0 109.218 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.592 -0.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.966 0.412 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -149.84 137.81 20.29 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.781 1.232 . . . . 0.0 110.458 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.69 119.84 19.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -112.03 120.47 41.96 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -60.33 -54.79 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.668 1.587 . . . . 0.0 110.546 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.84 173.09 0.08 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.454 1.502 . . . . 0.0 113.555 172.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -148.31 168.05 23.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.895 1.678 . . . . 0.0 110.374 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.21 -100.65 1.91 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.197 1.38 . . . . 0.0 112.542 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.32 -58.12 6.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.998 1.319 . . . . 0.0 110.792 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.56 138.62 53.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.689 1.996 . . . . 0.0 106.834 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.9 ptp -140.88 116.02 9.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.658 1.183 . . . . 0.0 108.677 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 90.66 142.14 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 129.943 3.297 . . . . 0.0 108.896 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -63.23 164.64 8.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.75 93.26 32.04 Favored Pre-proline 0 N--CA 1.45 -0.452 0 C-N-CA 126.046 1.738 . . . . 0.0 109.226 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.02 98.92 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.292 2.661 . . . . 0.0 107.431 152.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -50.85 -28.1 8.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.517 1.927 . . . . 0.0 113.601 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -58.27 -49.02 78.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.365 2.266 . . . . 0.0 111.48 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 83.74 0.35 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.436 1.969 . . . . 0.0 110.382 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.38 -6.81 19.76 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.048 3.166 . . . . 0.0 114.395 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.01 78.75 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.663 1.185 . . . . 0.0 110.385 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.9 m -69.09 -52.05 32.43 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.836 1.254 . . . . 0.0 109.461 167.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.089 0 O-C-N 122.274 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.53 0.681 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.9 p -70.84 140.35 51.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.279 1.831 . . . . 0.0 111.456 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.71 56.03 2.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.674 1.99 . . . . 0.0 110.139 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.11 -104.97 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 19' ' ' ILE . 51.6 tpt85 -169.12 -52.72 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.053 1.341 . . . . 0.0 111.176 170.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -36.42 111.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.206 2.603 . . . . 0.0 115.023 -164.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.31 128.31 36.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.439 1.096 . . . . 0.0 109.048 169.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -164.0 35.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.012 0.815 . . . . 0.0 112.026 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -71.48 -83.71 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.291 1.036 . . . . 0.0 110.16 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -113.17 59.27 0.65 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.519 1.527 . . . . 0.0 109.317 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.3 mtt -122.08 -51.57 2.0 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.936 2.094 . . . . 0.0 109.477 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.25 164.09 23.54 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.418 1.887 . . . . 0.0 111.881 170.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 48.07 0.6 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 67.66 93.2 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.055 1.742 . . . . 0.0 111.981 166.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.16 87.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 1 C-N-CA 126.083 4.522 . . . . 0.0 113.922 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 m80 66.67 24.33 10.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.505 2.322 . . . . 0.0 114.211 169.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt 63.58 178.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.142 1.777 . . . . 0.0 112.692 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 170.22 45.78 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.311 0.957 . . . . 0.0 112.665 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.74 156.19 61.25 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.519 3.479 . . . . 0.0 111.448 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.38 -56.88 0.6 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.905 2.082 . . . . 0.0 112.568 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 m -146.31 -51.31 0.23 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.769 1.628 . . . . 0.0 109.494 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.082 0 O-C-N 121.885 -0.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.533 0.206 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 p -113.47 124.95 53.62 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.314 1.845 . . . . 0.0 110.704 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.08 108.9 4.85 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 124.892 1.277 . . . . 0.0 107.61 167.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -140.09 134.42 31.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -84.24 91.33 7.71 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 126.927 2.091 . . . . 0.0 110.31 -170.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.56 -176.61 1.3 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.41 1.884 . . . . 0.0 111.932 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 134.97 42.28 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.3 1.04 . . . . 0.0 110.012 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.22 -175.15 46.18 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.724 1.154 . . . . 0.0 113.53 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.05 -34.21 71.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.674 1.589 . . . . 0.0 111.441 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.87 -175.54 4.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.914 2.086 . . . . 0.0 110.636 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.5 mtt 75.64 -32.67 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.771 2.428 . . . . 0.0 114.334 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.99 159.56 9.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.9 2.08 . . . . 0.0 110.881 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.92 139.98 40.36 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -155.11 92.42 2.81 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 125.803 1.641 . . . . 0.0 106.829 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.53 -62.51 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.821 3.68 . . . . 0.0 112.651 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -156.12 29.85 0.35 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.709 2.004 . . . . 0.0 110.474 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.38 -2.62 46.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.376 1.47 . . . . 0.0 113.77 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.87 72.36 0.08 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.92 123.28 8.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.976 3.117 . . . . 0.0 110.667 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.65 27.5 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.568 1.147 . . . . 0.0 111.556 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -97.99 70.91 2.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.817 1.247 . . . . 0.0 107.906 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.036 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.608 0.242 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.3 t -133.18 150.89 51.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 109.946 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.95 102.46 1.6 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 167.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -86.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 105.36 125.31 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 130.349 3.46 . . . . 0.0 110.375 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.12 -118.25 0.16 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 127.533 2.333 . . . . 0.0 107.517 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -74.66 -171.87 1.38 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.844 1.258 . . . . 0.0 110.709 171.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.9 -51.24 46.73 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.191 1.377 . . . . 0.0 113.14 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -128.88 -42.66 1.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.943 1.697 . . . . 0.0 110.826 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.22 131.53 46.36 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.477 1.911 . . . . 0.0 111.181 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.4 mtm 66.78 14.24 9.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.425 2.69 . . . . 0.0 115.577 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.49 -175.61 1.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.149 1.78 . . . . 0.0 110.4 168.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -87.58 62.11 6.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 50.89 100.29 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.797 2.039 . . . . 0.0 114.902 158.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.93 -32.25 12.44 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 125.265 3.977 . . . . 0.0 116.539 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -68.96 -30.87 69.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.537 1.135 . . . . 0.0 112.774 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -84.37 -58.72 2.63 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.1 1.36 . . . . 0.0 111.423 -170.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.29 -85.01 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.51 148.1 25.94 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.663 2.908 . . . . 0.0 111.37 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.5 -61.54 1.88 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.186 0.994 . . . . 0.0 108.912 169.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -63.15 166.92 5.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.172 1.789 . . . . 0.0 112.49 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.043 0 O-C-N 121.779 -0.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.982 0.42 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -66.06 141.71 58.05 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.946 1.299 . . . . 0.0 111.543 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.61 -21.01 63.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.897 1.279 . . . . 0.0 112.199 163.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -81.34 -54.31 5.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 76.29 80.1 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.476 1.91 . . . . 0.0 109.894 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.3 49.96 19.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 127.794 2.438 . . . . 0.0 113.995 172.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -144.2 145.45 32.08 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.722 1.609 . . . . 0.0 109.162 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -73.99 2.38 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.834 1.206 . . . . 0.0 111.993 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.44 -76.51 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.585 1.154 . . . . 0.0 111.435 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -144.54 -121.79 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.599 1.16 . . . . 0.0 109.637 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -127.55 93.87 3.83 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 126.002 1.721 . . . . 0.0 107.574 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 75.75 148.25 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.335 2.254 . . . . 0.0 110.704 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -81.77 58.92 4.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 54.36 96.98 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.792 2.037 . . . . 0.0 112.284 165.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.93 -38.38 6.92 Favored 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.314 4.009 . . . . 0.0 116.346 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -64.6 -39.02 92.98 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.182 1.393 . . . . 0.0 112.613 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.21 -78.58 0.47 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.645 1.578 . . . . 0.0 109.053 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.09 43.2 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.378 1.466 . . . . 0.0 112.485 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -79.86 169.47 17.97 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.228 3.286 . . . . 0.0 112.187 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.16 58.23 4.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.245 1.418 . . . . 0.0 110.506 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 153.24 4.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.615 1.966 . . . . 0.0 109.328 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.735 0.302 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -64.2 131.83 48.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.304 1.442 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -82.27 65.31 7.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.078 1.751 . . . . 0.0 109.636 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -148.02 137.1 22.05 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -85.7 84.79 7.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.961 1.704 . . . . 0.0 108.237 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.61 55.85 3.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.461 1.504 . . . . 0.0 111.845 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.93 100.95 8.32 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.958 1.303 . . . . 0.0 108.234 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.25 0.05 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -72.88 -59.63 2.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.413 1.085 . . . . 0.0 109.567 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -111.3 -139.95 0.38 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 108.238 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -157.83 132.11 8.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.033 1.733 . . . . 0.0 107.4 168.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 79.59 162.21 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.713 2.005 . . . . 0.0 112.0 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 32' ' ' CYS . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -87.5 72.94 9.59 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 31.57 88.56 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 C-N-CA 127.581 2.352 . . . . 0.0 113.903 164.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.03 81.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 125.285 3.99 . . . . 0.0 112.988 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -58.83 -43.68 90.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.925 1.69 . . . . 0.0 112.544 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -70.2 99.63 1.54 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.554 1.542 . . . . 0.0 107.583 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 79.54 0.43 Allowed Glycine 0 CA--C 1.535 1.32 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -161.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.61 125.77 8.08 Favored 'Trans proline' 0 C--N 1.352 0.714 1 C-N-CA 125.565 4.176 . . . . 0.0 114.635 -167.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 71.95 -30.37 0.21 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.887 2.075 . . . . 0.0 114.318 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 m -75.96 103.83 6.21 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.902 1.681 . . . . 0.0 109.617 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.074 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 . . . . . 0 CA--C 1.528 0.132 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 18' ' ' THR . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 14' ' ' LEU . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp . . . . . 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 119.002 -0.523 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 . . . . . 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 . . . . . 0 CA--C 1.53 0.179 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' HD21 ' A' ' 14' ' ' LEU . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt . . . . . 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 CA--C 1.545 0.787 0 CA-C-O 118.987 -0.53 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? . . . . . 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 . . . . . 0 CA--C 1.534 0.365 0 N-CA-C 108.896 -0.779 . . . . 0.0 108.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 . . . . . 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.253 0.549 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.468 0 N-CA-C 111.881 0.326 . . . . 0.0 111.881 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.429 HD22 ' H ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 107.61 -1.256 . . . . 0.0 107.61 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm . . . . . 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 CA--C 1.54 0.559 0 CA-C-O 119.694 -0.193 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 . . . . . 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 . . . . . 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt . . . . . 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 119.508 -0.282 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? . . . . . 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 . . . . . 0 CA--C 1.543 0.699 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt . . . . . 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 . . . . . 0 CA--C 1.539 0.536 0 CA-C-O 119.64 -0.219 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? . . . . . 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 . . . . . 0 CA--C 1.535 0.393 0 CA-C-O 121.826 0.822 . . . . 0.0 109.636 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm . . . . . 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 . . . . . 0 CA--C 1.543 0.692 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.437 HD22 ' H ' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 32' ' ' CYS . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.478 0.939 0 CA-C-O 120.725 0.298 . . . . 0.0 111.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 43.8 t -116.08 93.82 4.4 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 125.787 1.635 . . . . 0.0 107.74 170.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 67.9 tt0 -85.34 79.87 9.34 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 124.687 1.195 . . . . 0.0 107.855 177.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 22.7 t -77.82 86.03 4.08 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 125.73 1.612 . . . . 0.0 110.609 -168.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.32 86.55 0.19 Allowed Glycine 0 CA--C 1.528 0.86 0 N-CA-C 105.835 -2.906 . . . . 0.0 105.835 174.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_exo -57.11 14.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 1 C-N-CA 127.857 5.705 . . . . 0.0 119.281 -160.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.454 ' O ' HD12 ' A' ' 14' ' ' LEU . 44.9 t -58.64 -6.21 0.69 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.83 1.652 . . . . 0.0 113.139 132.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.2 m -90.79 -163.89 1.09 Allowed 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 127.567 2.347 . . . . 0.0 107.861 154.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -77.67 -84.23 0.07 Allowed 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 106.317 -1.734 . . . . 0.0 106.317 162.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -121.89 -26.13 4.87 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 129.059 2.944 . . . . 0.0 110.114 167.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -150.78 -26.98 0.22 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 128.91 2.884 . . . . 0.0 110.595 -166.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -109.12 135.03 50.92 Favored 'General case' 0 C--N 1.347 0.48 0 C-N-CA 125.375 1.47 . . . . 0.0 108.704 -160.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -65.2 134.67 54.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.306 1.042 . . . . 0.0 111.294 -172.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD13 HG21 ' A' ' 18' ' ' THR . 80.6 mt -67.78 177.37 2.11 Favored 'General case' 0 C--N 1.346 0.441 0 CA-C-O 122.869 1.319 . . . . 0.0 110.985 174.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mtmp? -75.95 80.78 2.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 126.773 2.029 . . . . 0.0 109.961 -169.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 0.16 91.26 0.01 OUTLIER 'General case' 0 C--N 1.348 0.537 0 C-N-CA 130.295 3.438 . . . . 0.0 113.557 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.48 48.97 0.88 Allowed Glycine 0 CA--C 1.535 1.335 0 C-N-CA 124.784 1.183 . . . . 0.0 110.354 -165.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.493 HG21 HD13 ' A' ' 14' ' ' LEU . 28.1 m -126.17 108.48 11.36 Favored 'General case' 0 C--N 1.349 0.557 0 C-N-CA 124.769 1.228 . . . . 0.0 111.942 175.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.7 mt -56.71 130.36 19.38 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.596 0 C-N-CA 126.707 2.003 . . . . 0.0 112.698 -172.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.412 ' HB2' ' SG ' ' A' ' 7' ' ' CYS . 42.2 t -71.83 -69.28 0.4 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 127.365 2.266 . . . . 0.0 109.911 162.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -122.2 128.15 50.85 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 128.219 2.608 . . . . 0.0 108.038 -171.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 mmt180 -82.29 63.76 6.63 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.337 1.855 . . . . 0.0 110.601 -173.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.61 149.66 34.74 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.888 1.675 . . . . 0.0 110.929 176.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -152.86 148.85 27.65 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.683 1.193 . . . . 0.0 110.089 -176.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 111.89 -63.76 0.28 Allowed Glycine 0 CA--C 1.53 1.016 0 C-N-CA 125.26 1.409 . . . . 0.0 111.031 177.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -115.78 -69.92 0.83 Allowed 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.59 1.556 . . . . 0.0 108.811 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.29 111.49 11.78 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 125.903 1.681 . . . . 0.0 107.313 170.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 21.0 mmt -94.04 75.29 4.11 Favored 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 124.32 1.048 . . . . 0.0 109.62 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 68.8 -169.11 0.18 Allowed 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.6 1.96 . . . . 0.0 111.732 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 25.2 m-20 -156.44 75.6 0.87 Allowed 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 119.181 0.9 . . . . 0.0 112.911 -167.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -78.27 136.93 37.85 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.472 1.509 . . . . 0.0 113.393 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 31.2 m -75.05 133.63 41.57 Favored 'General case' 0 C--N 1.346 0.455 0 C-N-CA 124.698 1.199 . . . . 0.0 110.459 163.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -107.12 16.98 23.56 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 114.056 -1.429 . . . . 0.0 114.083 -155.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.17 -21.75 1.7 Allowed Glycine 0 CA--C 1.543 1.823 0 CA-C-N 119.393 0.997 . . . . 0.0 113.351 -170.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -106.39 -44.25 4.57 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 127.118 2.167 . . . . 0.0 112.232 -175.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.8 t -133.32 151.1 51.86 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.681 1.192 . . . . 0.0 113.15 -172.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 89.0 m -132.71 51.09 2.18 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 128.735 2.814 . . . . 0.0 109.689 174.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -98.5 40.19 1.2 Allowed 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.339 1.055 . . . . 0.0 108.626 165.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t 40.99 61.82 6.99 Favored Pre-proline 0 CA--C 1.542 0.665 0 C-N-CA 127.009 2.124 . . . . 0.0 110.239 -172.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -61.59 143.35 96.83 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.809 2.339 . . . . 0.0 114.47 -155.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.4 tpp180 -75.44 143.21 42.79 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 125.254 1.422 . . . . 0.0 111.116 -175.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -135.27 89.04 24.17 Favored Pre-proline 0 CA--C 1.538 0.502 0 C-N-CA 127.02 2.128 . . . . 0.0 106.135 176.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -50.47 -80.59 0.02 OUTLIER 'Trans proline' 0 CA--C 1.535 0.538 0 C-N-CA 124.954 3.769 . . . . 0.0 112.944 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 67.8 m80 33.27 54.76 0.46 Allowed 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 128.001 2.52 . . . . 0.0 114.151 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.6 mptp? -70.89 94.44 1.06 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 125.256 1.422 . . . . 0.0 109.225 174.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.63 -84.29 0.2 Allowed Glycine 0 CA--C 1.533 1.162 0 C-N-CA 125.495 1.522 . . . . 0.0 109.552 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -75.0 143.87 29.59 Favored 'Trans proline' 0 CA--C 1.537 0.637 0 C-N-CA 123.898 3.066 . . . . 0.0 111.016 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -66.97 144.62 56.1 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.767 1.227 . . . . 0.0 111.653 -179.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 46.2 p 50.66 56.64 7.66 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.796 2.038 . . . . 0.0 112.585 177.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.009 0 O-C-N 121.705 -0.622 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 120.893 0.378 . . . . 0.0 111.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.7 p -137.95 127.04 24.27 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 125.955 1.702 . . . . 0.0 110.192 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -71.22 120.19 16.43 Favored 'General case' 0 C--N 1.34 0.191 0 N-CA-C 106.573 -1.64 . . . . 0.0 106.573 158.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 70.5 m -106.05 151.33 24.8 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.018 1.327 . . . . 0.0 111.389 -165.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.24 91.26 0.08 OUTLIER Glycine 0 CA--C 1.535 1.309 0 CA-C-O 116.789 -2.117 . . . . 0.0 109.932 177.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 0.4 OUTLIER -28.58 73.48 0.0 OUTLIER 'Trans proline' 0 C--N 1.359 1.084 1 C-N-CA 130.306 7.337 . . . . 0.0 117.561 -177.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.9 t -171.28 -61.24 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.37 1 C-N-CA 132.007 4.123 . . . . 0.0 102.689 -170.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.4 m -62.48 111.41 2.03 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 106.277 -1.749 . . . . 0.0 106.277 145.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -22.35 -73.18 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.422 2.689 . . . . 0.0 112.286 -160.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -122.38 -7.72 8.68 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 127.911 2.485 . . . . 0.0 111.492 159.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.7 t 174.47 -35.97 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.401 1.48 . . . . 0.0 110.35 -153.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -85.49 115.42 23.2 Favored 'General case' 0 C--N 1.344 0.356 0 C-N-CA 124.593 1.157 . . . . 0.0 108.322 -172.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -52.47 109.01 0.35 Allowed 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.124 1.37 . . . . 0.0 109.987 174.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD21 ' HB ' ' A' ' 18' ' ' THR . 0.1 OUTLIER -73.8 -163.54 0.18 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.877 0.846 . . . . 0.0 112.46 -168.375 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 50.7 pttt -75.56 66.61 1.95 Allowed 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 126.16 1.784 . . . . 0.0 112.054 178.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 0.1 113.33 0.01 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 130.706 3.602 . . . . 0.0 115.566 176.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 102.28 49.34 1.23 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.389 0.995 . . . . 0.0 110.818 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.408 ' HB ' HD21 ' A' ' 14' ' ' LEU . 35.2 m -130.21 132.46 46.0 Favored 'General case' 0 C--N 1.344 0.353 0 C-N-CA 125.268 1.427 . . . . 0.0 110.018 174.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.8 mt -83.83 136.3 23.07 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.375 0 C-N-CA 124.335 1.054 . . . . 0.0 112.984 -166.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.87 -55.82 5.26 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.349 1.86 . . . . 0.0 112.829 170.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -146.93 -151.6 0.39 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 125.074 1.35 . . . . 0.0 110.585 -166.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 82.11 -68.37 0.08 Allowed 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 125.273 1.429 . . . . 0.0 114.036 150.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.54 172.05 12.49 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 125.885 1.674 . . . . 0.0 110.495 -176.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 33.5 ttm180 -161.46 122.15 2.73 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 125.333 1.453 . . . . 0.0 108.18 167.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 56.3 54.39 36.18 Favored Glycine 0 CA--C 1.536 1.403 0 C-N-CA 125.5 1.524 . . . . 0.0 112.877 -178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -136.17 -86.17 0.35 Allowed 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 125.36 1.464 . . . . 0.0 107.686 175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.7 p-10 -86.87 -124.64 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.868 1.667 . . . . 0.0 107.792 168.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 91.4 mtp -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.45 -0.472 0 C-N-CA 124.834 1.254 . . . . 0.0 107.706 159.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -120.22 -165.75 1.22 Allowed 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.846 -1.07 . . . . 0.0 112.406 -147.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 74.7 m-20 -121.11 85.82 2.47 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 119.487 1.039 . . . . 0.0 110.346 -165.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -92.96 133.78 35.78 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.723 1.609 . . . . 0.0 112.978 -168.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -61.7 113.6 2.82 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 105.804 -1.924 . . . . 0.0 105.804 155.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -113.43 43.25 1.79 Allowed 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 124.022 0.929 . . . . 0.0 112.996 -162.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.66 -43.72 1.92 Allowed Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.554 1.073 . . . . 0.0 113.766 172.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -92.34 -28.36 16.98 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.918 1.687 . . . . 0.0 111.999 -176.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 7.0 t -147.33 156.18 42.67 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-O 122.242 1.02 . . . . 0.0 113.291 -178.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 12.2 m -115.16 -1.6 12.95 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 128.747 2.819 . . . . 0.0 113.348 -172.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -81.8 57.99 3.64 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 125.501 1.521 . . . . 0.0 110.392 -168.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 47.8 t 19.42 67.22 0.24 Allowed Pre-proline 0 CA--C 1.542 0.638 0 C-N-CA 129.257 3.023 . . . . 0.0 112.391 -172.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -56.44 139.09 86.42 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 124.075 3.183 . . . . 0.0 114.83 -160.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 36.9 ttm105 -78.21 140.85 38.92 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 125.223 1.409 . . . . 0.0 110.396 178.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 45.9 t30 -122.1 109.2 33.7 Favored Pre-proline 0 CA--C 1.542 0.667 0 C-N-CA 126.651 1.98 . . . . 0.0 107.935 178.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -43.12 -21.08 0.21 Allowed 'Trans proline' 0 CA--C 1.539 0.753 1 C-N-CA 127.174 5.249 . . . . 0.0 118.682 179.116 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.1 m80 -86.74 64.79 8.7 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.318 1.447 . . . . 0.0 110.487 -167.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.4 mmtm -61.68 154.71 24.57 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.735 1.614 . . . . 0.0 111.492 177.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.71 -158.21 12.39 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 123.676 0.655 . . . . 0.0 111.989 -178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -50.09 -54.09 6.02 Favored 'Trans proline' 0 C--N 1.35 0.621 0 C-N-CA 124.943 3.762 . . . . 0.0 113.365 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -99.51 108.19 20.56 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.401 1.48 . . . . 0.0 108.898 175.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.5 t -151.37 90.91 1.62 Allowed 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 124.545 1.138 . . . . 0.0 109.218 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.004 0 O-C-N 121.592 -0.693 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.966 0.412 . . . . 0.0 111.668 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 9.2 t -149.84 137.81 20.29 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 124.781 1.232 . . . . 0.0 110.458 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -74.69 119.84 19.43 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 168.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 65.2 m -131.05 90.89 2.95 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 124.683 1.193 . . . . 0.0 110.057 -164.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.3 118.63 6.18 Favored Glycine 0 CA--C 1.533 1.208 0 N-CA-C 105.337 -3.105 . . . . 0.0 105.337 160.064 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -50.28 -11.71 0.38 Allowed 'Trans proline' 0 CA--C 1.537 0.635 1 C-N-CA 126.152 4.568 . . . . 0.0 118.52 -170.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.7 p -49.61 -62.57 1.48 Allowed 'General case' 0 C--N 1.342 0.259 0 C-N-CA 123.634 0.773 . . . . 0.0 109.59 156.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 74.0 m -63.16 106.33 0.85 Allowed 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 163.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -21.06 -72.85 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 128.235 2.614 . . . . 0.0 113.479 -157.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.4 t30 -136.84 25.62 3.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 113.203 -1.817 . . . . 0.0 111.242 162.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.9 t 152.28 -43.33 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 128.062 2.545 . . . . 0.0 108.602 -162.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -85.98 105.76 16.67 Favored 'General case' 0 C--N 1.346 0.437 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 -159.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -42.14 107.0 0.07 Allowed 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 127.057 2.143 . . . . 0.0 110.101 178.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.75 -157.67 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.624 1.169 . . . . 0.0 112.128 -167.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -69.81 80.99 0.45 Allowed 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 126.189 1.796 . . . . 0.0 109.565 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -23.26 111.96 0.03 OUTLIER 'General case' 0 C--N 1.348 0.533 0 C-N-CA 129.405 3.082 . . . . 0.0 113.424 179.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 96.27 49.59 2.02 Favored Glycine 0 CA--C 1.531 1.077 0 N-CA-C 110.24 -1.144 . . . . 0.0 110.24 -172.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 51.8 m -125.53 120.42 30.85 Favored 'General case' 0 C--N 1.348 0.504 0 C-N-CA 124.57 1.148 . . . . 0.0 110.531 171.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 66.2 mt -57.52 126.65 15.43 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.429 0 C-N-CA 126.735 2.014 . . . . 0.0 111.189 -178.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -65.49 1.0 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.776 2.031 . . . . 0.0 108.77 162.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -112.03 120.47 41.96 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.007 1.323 . . . . 0.0 110.05 -178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -60.33 -54.79 41.5 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.668 1.587 . . . . 0.0 110.546 176.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 59.84 173.09 0.08 Allowed 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.454 1.502 . . . . 0.0 113.555 172.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -148.31 168.05 23.59 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.895 1.678 . . . . 0.0 110.374 178.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.21 -100.65 1.91 Allowed Glycine 0 CA--C 1.53 0.986 0 C-N-CA 125.197 1.38 . . . . 0.0 112.542 166.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -66.32 -58.12 6.01 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 124.998 1.319 . . . . 0.0 110.792 -173.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -126.56 138.62 53.49 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.689 1.996 . . . . 0.0 106.834 174.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 19.9 ptp -140.88 116.02 9.89 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.658 1.183 . . . . 0.0 108.677 -178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 90.66 142.14 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 129.943 3.297 . . . . 0.0 108.896 -172.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -158.79 87.25 0.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -167.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -91.04 131.36 36.68 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.836 1.255 . . . . 0.0 111.785 -160.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 57.7 m -75.58 116.31 16.16 Favored 'General case' 0 C--N 1.345 0.397 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 166.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 25.9 p30 -120.54 40.51 3.48 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 114.833 -1.076 . . . . 0.0 113.094 -149.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.87 -31.46 1.5 Allowed Glycine 0 CA--C 1.542 1.737 0 CA-C-O 119.499 -0.611 . . . . 0.0 113.37 177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.3 mmtm -104.32 -38.57 6.8 Favored 'General case' 0 C--N 1.344 0.343 0 C-N-CA 126.682 1.993 . . . . 0.0 111.931 -171.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.2 t -142.44 156.81 45.22 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.225 1.01 . . . . 0.0 112.744 -176.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 25.8 m -122.24 10.21 9.93 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 128.318 2.647 . . . . 0.0 112.888 -173.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.4 t0 -85.14 49.15 1.69 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.068 1.347 . . . . 0.0 109.869 -175.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.2 t 34.12 58.9 2.03 Favored Pre-proline 0 CA--C 1.543 0.679 0 C-N-CA 127.514 2.326 . . . . 0.0 110.695 -168.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -60.79 153.11 65.01 Favored 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 123.606 2.871 . . . . 0.0 114.584 -153.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 ptt85 -63.23 164.64 8.46 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.692 1.197 . . . . 0.0 112.407 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.1 t30 -130.75 93.26 32.04 Favored Pre-proline 0 N--CA 1.45 -0.452 0 C-N-CA 126.046 1.738 . . . . 0.0 109.226 -170.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -60.02 98.92 0.13 Allowed 'Trans proline' 0 N--CA 1.452 -0.942 0 C-N-CA 123.292 2.661 . . . . 0.0 107.431 152.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -50.85 -28.1 8.78 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.517 1.927 . . . . 0.0 113.601 -177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -58.27 -49.02 78.6 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 127.365 2.266 . . . . 0.0 111.48 172.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -117.46 83.74 0.35 Allowed Glycine 0 CA--C 1.536 1.365 0 C-N-CA 126.436 1.969 . . . . 0.0 110.382 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.38 -6.81 19.76 Favored 'Trans proline' 0 CA--C 1.542 0.892 0 C-N-CA 124.048 3.166 . . . . 0.0 114.395 -176.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.35 -49.01 78.75 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.663 1.185 . . . . 0.0 110.385 168.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 79.9 m -69.09 -52.05 32.43 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 124.836 1.254 . . . . 0.0 109.461 167.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.089 0 O-C-N 122.274 -0.266 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 121.53 0.681 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 18.9 p -70.84 140.35 51.14 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.279 1.831 . . . . 0.0 111.456 177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -80.71 56.03 2.54 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 126.674 1.99 . . . . 0.0 110.139 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 38.4 m -49.83 110.55 0.4 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 126.795 2.038 . . . . 0.0 113.96 -156.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.99 158.75 22.79 Favored Glycine 0 CA--C 1.539 1.581 0 N-CA-C 107.194 -2.362 . . . . 0.0 107.194 154.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -50.92 -23.7 12.43 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 124.798 3.665 . . . . 0.0 113.88 167.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -68.82 17.77 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.296 2.238 . . . . 0.0 113.606 165.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 61.7 m -153.18 120.3 5.8 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 128.605 2.762 . . . . 0.0 104.043 163.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.0 tpt85 -65.1 95.56 0.17 Allowed 'General case' 0 N--CA 1.446 -0.634 0 CA-C-O 121.603 0.716 . . . . 0.0 112.324 -149.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 25.62 64.85 0.06 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.159 2.184 . . . . 0.0 112.486 -154.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.5 t 105.19 -32.2 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 129.389 3.076 . . . . 0.0 112.363 -174.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -98.05 86.59 3.75 Favored 'General case' 0 C--N 1.344 0.335 0 CA-C-N 118.708 0.685 . . . . 0.0 110.528 -159.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -21.61 115.73 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 128.681 2.793 . . . . 0.0 113.733 -177.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.28 175.88 0.68 Allowed 'General case' 0 C--N 1.343 0.308 0 C-N-CA 125.723 1.609 . . . . 0.0 113.751 -168.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -86.56 41.25 0.94 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 112.53 -2.123 . . . . 0.0 112.469 -156.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 35.15 78.13 0.04 OUTLIER 'General case' 0 C--N 1.346 0.421 0 C-N-CA 127.707 2.403 . . . . 0.0 112.728 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 127.32 33.15 0.63 Allowed Glycine 0 CA--C 1.533 1.209 0 C-N-CA 124.751 1.167 . . . . 0.0 111.73 -173.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 76.7 m -105.28 102.48 11.96 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 118.561 1.181 . . . . 0.0 110.562 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER -65.94 127.01 26.38 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 126.315 1.846 . . . . 0.0 111.902 -171.353 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.1 m -65.76 -60.68 2.64 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.74 1.216 . . . . 0.0 111.429 170.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -72.11 -104.97 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.463 1.505 . . . . 0.0 109.517 179.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 19' ' ' ILE . 51.6 tpt85 -169.12 -52.72 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.053 1.341 . . . . 0.0 111.176 170.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -36.42 111.44 0.14 Allowed 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 128.206 2.603 . . . . 0.0 115.023 -164.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 17.4 mmm180 -69.31 128.31 36.13 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 124.439 1.096 . . . . 0.0 109.048 169.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 162.65 -164.0 35.49 Favored Glycine 0 CA--C 1.531 1.053 0 C-N-CA 124.012 0.815 . . . . 0.0 112.026 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -71.48 -83.71 0.04 OUTLIER 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.291 1.036 . . . . 0.0 110.16 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 39.5 t0 -113.17 59.27 0.65 Allowed 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.519 1.527 . . . . 0.0 109.317 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 58.3 mtt -122.08 -51.57 2.0 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.936 2.094 . . . . 0.0 109.477 -177.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -69.25 164.09 23.54 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.418 1.887 . . . . 0.0 111.881 170.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -164.0 96.38 0.8 Allowed 'General case' 0 C--N 1.346 0.436 0 C-N-CA 125.248 1.419 . . . . 0.0 109.1 -172.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -99.29 138.34 36.51 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.641 1.576 . . . . 0.0 112.587 -165.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 21.9 m -65.51 124.08 21.36 Favored 'General case' 0 C--O 1.235 0.336 0 C-N-CA 126.865 2.066 . . . . 0.0 107.827 164.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.429 HD22 ' H ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -123.39 29.47 6.64 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 114.714 1.375 . . . . 0.0 114.714 -150.518 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.77 -34.82 1.41 Allowed Glycine 0 CA--C 1.54 1.607 0 CA-C-N 118.456 0.571 . . . . 0.0 113.641 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -85.73 -44.0 12.9 Favored 'General case' 0 C--N 1.341 0.233 0 C-N-CA 125.693 1.597 . . . . 0.0 111.681 -177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.4 t -152.77 165.26 35.91 Favored 'General case' 0 C--O 1.238 0.448 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 -177.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.2 m -109.52 17.67 21.14 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 129.081 2.953 . . . . 0.0 113.009 -167.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -109.57 61.59 0.6 Allowed 'General case' 0 CA--C 1.533 0.298 0 C-N-CA 124.739 1.215 . . . . 0.0 108.863 -171.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 98.0 m 14.5 74.79 0.12 Allowed Pre-proline 0 C--N 1.349 0.582 0 C-N-CA 128.585 2.754 . . . . 0.0 113.378 -169.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -51.04 144.98 26.57 Favored 'Trans proline' 0 C--N 1.349 0.602 0 C-N-CA 125.292 3.994 . . . . 0.0 112.672 -173.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.25 48.07 0.6 Allowed 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.112 1.765 . . . . 0.0 113.104 -174.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 67.66 93.2 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.402 0 C-N-CA 126.055 1.742 . . . . 0.0 111.981 166.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 98.7 Cg_exo -48.16 87.13 0.02 OUTLIER 'Trans proline' 0 C--N 1.353 0.785 1 C-N-CA 126.083 4.522 . . . . 0.0 113.922 171.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 m80 66.67 24.33 10.07 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 127.505 2.322 . . . . 0.0 114.211 169.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.3 mmtt 63.58 178.32 0.16 Allowed 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.142 1.777 . . . . 0.0 112.692 169.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 88.1 170.22 45.78 Favored Glycine 0 CA--C 1.536 1.38 0 C-N-CA 124.311 0.957 . . . . 0.0 112.665 179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.74 156.19 61.25 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.519 3.479 . . . . 0.0 111.448 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 75.38 -56.88 0.6 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.905 2.082 . . . . 0.0 112.568 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 m -146.31 -51.31 0.23 Allowed 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 125.769 1.628 . . . . 0.0 109.494 -179.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.082 0 O-C-N 121.885 -0.51 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 120.533 0.206 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 6.8 p -113.47 124.95 53.62 Favored 'General case' 0 C--N 1.343 0.307 0 C-N-CA 126.314 1.845 . . . . 0.0 110.704 -175.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -71.08 108.9 4.85 Favored 'General case' 0 C--N 1.342 0.249 0 C-N-CA 124.892 1.277 . . . . 0.0 107.61 167.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.0 t -95.62 155.96 16.52 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.11 1.364 . . . . 0.0 112.452 -160.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 171.78 113.82 0.31 Allowed Glycine 0 CA--C 1.531 1.086 0 N-CA-C 104.579 -3.408 . . . . 0.0 104.579 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 81.8 Cg_exo -50.23 -11.3 0.32 Allowed 'Trans proline' 0 CA--C 1.542 0.92 1 C-N-CA 125.351 4.034 . . . . 0.0 117.872 -169.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -45.19 -62.77 1.12 Allowed 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.361 2.265 . . . . 0.0 109.69 155.291 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 23.5 m -57.41 115.12 2.53 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 153.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -16.59 -72.36 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 127.89 2.476 . . . . 0.0 112.857 -171.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -125.03 -12.93 6.92 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 128.261 2.625 . . . . 0.0 111.69 161.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 37.7 t 172.95 -30.65 0.0 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.889 1.675 . . . . 0.0 110.239 -151.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.0 mmtm -93.17 114.49 27.01 Favored 'General case' 0 C--N 1.346 0.443 0 C-N-CA 124.723 1.209 . . . . 0.0 107.817 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -49.81 114.09 0.99 Allowed 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.476 1.51 . . . . 0.0 109.851 175.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.93 -158.37 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 124.07 0.948 . . . . 0.0 112.393 -167.261 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.13 78.36 1.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.199 1.4 . . . . 0.0 109.688 175.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -20.71 120.89 0.03 OUTLIER 'General case' 0 C--N 1.349 0.547 0 C-N-CA 129.424 3.089 . . . . 0.0 114.182 -178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 94.6 53.39 1.69 Allowed Glycine 0 CA--C 1.53 1.03 0 C-N-CA 124.614 1.102 . . . . 0.0 110.412 -176.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 98.7 m -128.99 113.32 15.03 Favored 'General case' 0 C--N 1.347 0.479 0 C-N-CA 124.398 1.079 . . . . 0.0 111.045 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 83.9 mt -48.65 127.32 3.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 127.209 2.204 . . . . 0.0 112.127 -177.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.5 t -69.82 -56.43 7.13 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.975 1.71 . . . . 0.0 110.155 166.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -140.09 134.42 31.29 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.587 1.555 . . . . 0.0 110.964 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -84.24 91.33 7.71 Favored 'General case' 0 C--N 1.341 0.22 0 C-N-CA 126.927 2.091 . . . . 0.0 110.31 -170.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.56 -176.61 1.3 Allowed 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.41 1.884 . . . . 0.0 111.932 171.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.46 134.97 42.28 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.3 1.04 . . . . 0.0 110.012 -179.158 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.22 -175.15 46.18 Favored Glycine 0 CA--C 1.534 1.241 0 C-N-CA 124.724 1.154 . . . . 0.0 113.53 176.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -71.05 -34.21 71.02 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.674 1.589 . . . . 0.0 111.441 178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.3 p-10 -79.87 -175.54 4.97 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.914 2.086 . . . . 0.0 110.636 167.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 62.5 mtt 75.64 -32.67 0.22 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 127.771 2.428 . . . . 0.0 114.334 177.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -59.99 159.56 9.13 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.9 2.08 . . . . 0.0 110.881 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -131.04 66.09 1.54 Allowed 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 122.242 1.02 . . . . 0.0 111.962 -144.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -67.69 136.7 54.73 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 125.662 1.585 . . . . 0.0 112.925 -164.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.44 143.27 56.15 Favored 'General case' 0 C--N 1.347 0.476 0 N-CA-C 107.632 -1.248 . . . . 0.0 107.632 160.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 -115.02 129.71 56.77 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 105.595 -2.002 . . . . 0.0 105.595 178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -27.21 -24.8 0.0 OUTLIER Glycine 0 CA--C 1.549 2.195 0 C-N-CA 128.233 2.825 . . . . 0.0 115.513 156.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -105.16 -35.06 7.72 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 127.743 2.417 . . . . 0.0 113.037 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.5 t -147.39 151.85 37.18 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.149 1.166 . . . . 0.0 114.149 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 74.0 m -140.26 53.96 1.64 Allowed 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 126.287 1.835 . . . . 0.0 110.903 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -92.51 43.09 1.12 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.978 0.911 . . . . 0.0 109.166 169.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.0 t 36.7 63.79 2.75 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 126.822 2.049 . . . . 0.0 109.939 -165.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -58.93 137.92 82.65 Favored 'Trans proline' 0 C--N 1.352 0.723 0 C-N-CA 123.41 2.74 . . . . 0.0 114.539 -153.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 79.1 ttt180 -76.92 139.98 40.36 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.08 1.352 . . . . 0.0 110.016 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -155.11 92.42 2.81 Favored Pre-proline 0 CA--C 1.536 0.422 0 C-N-CA 125.803 1.641 . . . . 0.0 106.829 -174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.53 -62.51 0.26 Allowed 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 124.821 3.68 . . . . 0.0 112.651 173.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -156.12 29.85 0.35 Allowed 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.709 2.004 . . . . 0.0 110.474 174.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.38 -2.62 46.33 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.376 1.47 . . . . 0.0 113.77 -176.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.87 72.36 0.08 OUTLIER Glycine 0 CA--C 1.533 1.175 0 N-CA-C 110.497 -1.041 . . . . 0.0 110.497 -177.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -72.92 123.28 8.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 123.976 3.117 . . . . 0.0 110.667 -177.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -159.95 167.65 27.5 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.568 1.147 . . . . 0.0 111.556 -178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.6 m -97.99 70.91 2.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.817 1.247 . . . . 0.0 107.906 174.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.036 0 O-C-N 121.761 -0.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 . . . . . 0 N--CA 1.479 1.012 0 CA-C-O 120.608 0.242 . . . . 0.0 111.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.3 t -133.18 150.89 51.97 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 125.52 1.528 . . . . 0.0 109.946 173.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -68.95 102.46 1.6 Allowed 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 167.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 46.7 t -124.28 85.29 2.39 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 125.986 1.714 . . . . 0.0 109.195 -173.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.84 104.49 2.99 Favored Glycine 0 CA--C 1.531 1.073 0 N-CA-C 104.295 -3.522 . . . . 0.0 104.295 154.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -48.97 -12.73 0.23 Allowed 'Trans proline' 0 C--N 1.351 0.664 1 C-N-CA 126.452 4.768 . . . . 0.0 118.249 -167.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 2.0 t -44.48 -64.7 0.63 Allowed 'General case' 0 N--CA 1.464 0.269 0 C-N-CA 125.618 1.567 . . . . 0.0 109.514 155.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 63.6 m -59.59 111.36 1.39 Allowed 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 158.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -11.09 -79.15 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 129.627 3.171 . . . . 0.0 113.761 -167.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -138.4 7.12 2.58 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.918 2.087 . . . . 0.0 111.606 170.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.1 t 163.23 -33.12 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 127.026 2.131 . . . . 0.0 109.606 -158.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -107.69 131.8 54.02 Favored 'General case' 0 C--N 1.348 0.524 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -162.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -57.73 123.98 17.53 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 124.311 1.045 . . . . 0.0 111.179 -175.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.04 -165.88 0.43 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.929 0.871 . . . . 0.0 112.451 -174.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.6 ptmt -70.04 8.89 0.64 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.663 2.097 . . . . 0.0 116.663 -168.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 61.23 132.01 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 127.529 2.332 . . . . 0.0 112.9 -175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 72.66 51.41 11.81 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.581 -1.008 . . . . 0.0 110.581 177.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 38.4 m -129.37 125.48 36.73 Favored 'General case' 0 C--N 1.345 0.378 0 C-N-CA 124.961 1.304 . . . . 0.0 110.909 177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.6 mt -73.37 125.75 32.89 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 C-N-CA 124.621 1.168 . . . . 0.0 112.202 -169.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 p -72.82 -53.6 11.07 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 126.047 1.739 . . . . 0.0 112.089 165.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 71.4 mmtt -78.72 -86.83 0.06 Allowed 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.54 1.136 . . . . 0.0 111.577 -173.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 105.36 125.31 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 130.349 3.46 . . . . 0.0 110.375 -174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -136.12 -118.25 0.16 Allowed 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 127.533 2.333 . . . . 0.0 107.517 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.5 mmm-85 -74.66 -171.87 1.38 Allowed 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.844 1.258 . . . . 0.0 110.709 171.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.9 -51.24 46.73 Favored Glycine 0 CA--C 1.536 1.353 0 C-N-CA 125.191 1.377 . . . . 0.0 113.14 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -128.88 -42.66 1.39 Allowed 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 125.943 1.697 . . . . 0.0 110.826 177.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -66.22 131.53 46.36 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.477 1.911 . . . . 0.0 111.181 -175.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 70.4 mtm 66.78 14.24 9.72 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 128.425 2.69 . . . . 0.0 115.577 176.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 78.4 m-20 -72.49 -175.61 1.66 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.149 1.78 . . . . 0.0 110.4 168.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -165.76 106.13 0.72 Allowed 'General case' 0 C--N 1.348 0.527 0 N-CA-C 108.466 -0.938 . . . . 0.0 108.466 -170.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -110.26 136.75 48.97 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.954 1.301 . . . . 0.0 112.658 -164.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 7.9 m -80.24 127.82 32.8 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 126.567 1.947 . . . . 0.0 107.422 173.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -96.86 1.71 50.91 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -152.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.7 -28.98 1.8 Allowed Glycine 0 CA--C 1.543 1.791 0 CA-C-N 119.72 1.145 . . . . 0.0 112.085 -164.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -82.53 -48.06 11.45 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 126.415 1.886 . . . . 0.0 111.646 176.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 10.0 t -140.9 158.95 43.22 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.466 1.106 . . . . 0.0 112.911 -176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 33.9 m -102.41 -19.99 14.74 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 128.181 2.593 . . . . 0.0 114.395 -171.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -78.9 66.7 4.43 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.918 1.687 . . . . 0.0 110.821 -164.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t 19.31 68.87 0.24 Allowed Pre-proline 0 CA--C 1.543 0.711 0 C-N-CA 129.539 3.135 . . . . 0.0 113.167 -175.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -63.35 159.87 37.86 Favored 'Trans proline' 0 C--N 1.35 0.611 0 C-N-CA 124.42 3.413 . . . . 0.0 115.245 -163.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.1 tpm_? -87.58 62.11 6.9 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 125.109 1.363 . . . . 0.0 111.332 -172.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 47.6 t-20 50.89 100.29 0.04 OUTLIER Pre-proline 0 CA--C 1.547 0.848 0 C-N-CA 126.797 2.039 . . . . 0.0 114.902 158.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 90.1 Cg_exo -46.93 -32.25 12.44 Favored 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 125.265 3.977 . . . . 0.0 116.539 175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.7 m80 -68.96 -30.87 69.39 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.537 1.135 . . . . 0.0 112.774 -174.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -84.37 -58.72 2.63 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.1 1.36 . . . . 0.0 111.423 -170.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -158.29 -85.01 0.05 OUTLIER Glycine 0 CA--C 1.531 1.087 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 90.3 Cg_endo -77.51 148.1 25.94 Favored 'Trans proline' 0 CA--C 1.536 0.608 0 C-N-CA 123.663 2.908 . . . . 0.0 111.37 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.5 -61.54 1.88 Allowed 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 124.186 0.994 . . . . 0.0 108.912 169.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.2 p -63.15 166.92 5.48 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.172 1.789 . . . . 0.0 112.49 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.043 0 O-C-N 121.779 -0.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.982 0.42 . . . . 0.0 111.539 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.9 p -66.06 141.71 58.05 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 124.946 1.299 . . . . 0.0 111.543 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -61.61 -21.01 63.98 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.897 1.279 . . . . 0.0 112.199 163.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 9.8 t 77.24 99.02 0.07 Allowed 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 128.703 2.801 . . . . 0.0 113.044 163.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.4 162.43 29.88 Favored Glycine 0 CA--C 1.539 1.575 0 C-N-CA 128.007 2.718 . . . . 0.0 107.181 159.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -55.59 -21.13 29.88 Favored 'Trans proline' 0 CA--C 1.544 0.998 0 C-N-CA 124.098 3.199 . . . . 0.0 113.913 165.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.5 t -43.16 -49.18 6.48 Favored 'General case' 0 C--O 1.221 -0.429 0 C-N-CA 127.378 2.271 . . . . 0.0 111.314 158.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 90.1 m -99.93 99.29 10.04 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 171.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.7 tpt85 -52.81 101.03 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 124.222 1.009 . . . . 0.0 113.68 -149.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.7 t30 65.61 -58.15 0.31 Allowed 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.301 2.64 . . . . 0.0 111.199 -160.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 46.0 t -156.54 24.21 0.34 Allowed 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 127.539 2.336 . . . . 0.0 110.588 169.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -123.0 85.8 2.48 Favored 'General case' 0 C--N 1.349 0.544 0 C-N-CA 124.562 1.145 . . . . 0.0 110.497 -174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -15.08 108.64 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 128.365 2.666 . . . . 0.0 113.845 173.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -61.11 175.51 0.52 Allowed 'General case' 0 C--N 1.346 0.44 0 CA-C-O 123.118 1.437 . . . . 0.0 111.997 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.9 49.08 1.6 Allowed 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 112.964 -1.926 . . . . 0.0 111.601 -159.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 39.98 85.42 0.02 OUTLIER 'General case' 0 C--N 1.346 0.444 0 C-N-CA 128.145 2.578 . . . . 0.0 112.856 174.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 104.7 45.92 1.35 Allowed Glycine 0 CA--C 1.532 1.102 0 C-N-CA 125.118 1.342 . . . . 0.0 110.263 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 22.4 m -135.58 131.68 36.2 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-N 118.053 0.927 . . . . 0.0 112.019 171.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 59.1 mt -64.91 138.46 23.11 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 C-N-CA 127.507 2.323 . . . . 0.0 113.606 -166.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 4.2 t -86.69 -70.37 0.61 Allowed 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 127.877 2.471 . . . . 0.0 110.238 162.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -81.34 -54.31 5.59 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.332 1.053 . . . . 0.0 112.907 -162.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 76.29 80.1 0.09 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.476 1.91 . . . . 0.0 109.894 -174.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . 52.3 49.96 19.4 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 127.794 2.438 . . . . 0.0 113.995 172.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.7 mtt85 -144.2 145.45 32.08 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.722 1.609 . . . . 0.0 109.162 175.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.13 -73.99 2.38 Favored Glycine 0 CA--C 1.532 1.154 0 C-N-CA 124.834 1.206 . . . . 0.0 111.993 177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -83.44 -76.51 0.28 Allowed 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.585 1.154 . . . . 0.0 111.435 -170.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -144.54 -121.79 0.08 Allowed 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.599 1.16 . . . . 0.0 109.637 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 42.7 mtm -127.55 93.87 3.83 Favored 'General case' 0 C--N 1.343 0.317 0 C-N-CA 126.002 1.721 . . . . 0.0 107.574 179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 75.75 148.25 0.1 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 127.335 2.254 . . . . 0.0 110.704 -176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -158.94 95.11 1.26 Allowed 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 -160.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -100.54 127.71 46.82 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.011 1.724 . . . . 0.0 112.011 -154.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.28 146.3 51.37 Favored 'General case' 0 C--N 1.347 0.462 0 C-N-CA 124.882 1.273 . . . . 0.0 110.79 170.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -108.2 2.15 22.61 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.102 1.149 . . . . 0.0 114.102 -166.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 78.44 -25.8 2.34 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-N 119.324 0.965 . . . . 0.0 113.056 -171.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -94.35 -39.55 10.42 Favored 'General case' 0 C--N 1.345 0.374 0 C-N-CA 126.68 1.992 . . . . 0.0 111.932 -178.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -137.87 149.51 46.34 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 124.963 1.305 . . . . 0.0 112.694 -174.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 7.4 m -100.23 8.22 43.94 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 127.994 2.517 . . . . 0.0 114.256 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -88.39 62.55 6.69 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.628 1.171 . . . . 0.0 109.902 -172.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 79.8 m 5.26 73.17 0.05 OUTLIER Pre-proline 0 C--N 1.351 0.641 0 C-N-CA 129.545 3.138 . . . . 0.0 113.715 -174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -54.41 145.92 54.41 Favored 'Trans proline' 0 C--N 1.351 0.672 0 C-N-CA 124.789 3.659 . . . . 0.0 114.255 -163.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -81.77 58.92 4.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.643 1.577 . . . . 0.0 110.657 -170.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 59.7 t-20 54.36 96.98 0.04 OUTLIER Pre-proline 0 CA--C 1.542 0.645 0 C-N-CA 126.792 2.037 . . . . 0.0 112.284 165.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.9 Cg_exo -42.93 -38.38 6.92 Favored 'Trans proline' 0 C--N 1.349 0.585 1 C-N-CA 125.314 4.009 . . . . 0.0 116.346 -177.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -64.6 -39.02 92.98 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.182 1.393 . . . . 0.0 112.613 -179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -97.21 -78.58 0.47 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.645 1.578 . . . . 0.0 109.053 -178.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -91.2 -172.09 43.2 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.378 1.466 . . . . 0.0 112.485 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -79.86 169.47 17.97 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 124.228 3.286 . . . . 0.0 112.187 -174.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -84.16 58.23 4.65 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 125.245 1.418 . . . . 0.0 110.506 177.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -169.7 153.24 4.88 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 126.615 1.966 . . . . 0.0 109.328 173.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.032 0 O-C-N 121.764 -0.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 12.7 tp10 . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.735 0.302 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -64.2 131.83 48.57 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.304 1.442 . . . . 0.0 111.073 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -82.27 65.31 7.34 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.078 1.751 . . . . 0.0 109.636 -178.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 10.5 p -177.69 122.22 0.11 Allowed 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 125.994 1.718 . . . . 0.0 109.02 -162.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -74.68 179.88 43.29 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.72 1.152 . . . . 0.0 112.404 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_exo -61.35 -34.85 86.44 Favored 'Trans proline' 0 CA--C 1.533 0.451 0 C-N-CA 124.748 3.632 . . . . 0.0 114.016 179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 5.7 t -53.08 -47.63 68.36 Favored 'General case' 0 C--O 1.224 -0.262 0 C-N-CA 124.67 1.188 . . . . 0.0 110.224 166.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 36.2 m -78.95 97.27 5.98 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 105.93 -1.878 . . . . 0.0 105.93 178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 tpt85 -51.96 97.27 0.01 OUTLIER 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -130.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 64.79 -60.24 0.23 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 128.063 2.545 . . . . 0.0 110.785 -160.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 91.5 m -142.84 5.66 1.56 Allowed 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 128.889 2.876 . . . . 0.0 111.724 175.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.1 mmtp -122.48 78.18 1.49 Allowed 'General case' 0 C--N 1.351 0.655 0 CA-C-N 119.753 1.161 . . . . 0.0 109.951 -162.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -17.82 104.8 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 128.603 2.761 . . . . 0.0 112.941 -179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.03 -168.43 0.28 Allowed 'General case' 0 C--N 1.345 0.402 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -158.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -69.62 77.53 0.43 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.729 2.011 . . . . 0.0 110.197 179.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -17.39 113.18 0.02 OUTLIER 'General case' 0 C--N 1.347 0.477 0 C-N-CA 130.224 3.409 . . . . 0.0 114.05 178.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 103.27 54.72 0.83 Allowed Glycine 0 CA--C 1.531 1.064 0 C-N-CA 125.064 1.316 . . . . 0.0 110.969 -177.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 61.5 m -113.85 108.87 17.66 Favored 'General case' 0 C--N 1.344 0.341 0 C-N-CA 125.297 1.439 . . . . 0.0 109.831 169.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.5 mt -61.22 112.29 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.563 1.145 . . . . 0.0 109.668 -177.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 10.7 p -89.5 -27.98 19.95 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 127.729 2.412 . . . . 0.0 112.058 173.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -148.02 137.1 22.05 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.582 1.153 . . . . 0.0 110.286 170.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 20.7 tpp85 -85.7 84.79 7.48 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 125.961 1.704 . . . . 0.0 108.237 175.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.61 55.85 3.59 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.461 1.504 . . . . 0.0 111.845 -174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.93 100.95 8.32 Favored 'General case' 0 C--N 1.343 0.29 0 C-N-CA 124.958 1.303 . . . . 0.0 108.234 178.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -176.68 -78.25 0.05 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 109.788 -1.325 . . . . 0.0 109.788 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -72.88 -59.63 2.62 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.413 1.085 . . . . 0.0 109.567 172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.5 p30 -111.3 -139.95 0.38 Allowed 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 126.767 2.027 . . . . 0.0 108.238 173.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 20.8 ptt? -157.83 132.11 8.24 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 126.033 1.733 . . . . 0.0 107.4 168.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 79.59 162.21 0.19 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 126.713 2.005 . . . . 0.0 112.0 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.8 m-20 -168.89 120.3 0.76 Allowed 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 126.61 1.964 . . . . 0.0 105.8 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -120.08 154.32 34.83 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 126.384 1.874 . . . . 0.0 112.429 -161.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 6.3 m -78.06 112.39 14.94 Favored 'General case' 0 C--N 1.345 0.371 0 N-CA-C 105.693 -1.966 . . . . 0.0 105.693 160.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.437 HD22 ' H ' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -106.24 26.06 10.26 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -159.046 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.58 -24.75 1.17 Allowed Glycine 0 CA--C 1.542 1.723 0 CA-C-N 118.822 0.737 . . . . 0.0 113.837 -178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -82.69 -50.5 8.66 Favored 'General case' 0 C--N 1.344 0.363 0 C-N-CA 125.099 1.36 . . . . 0.0 110.578 176.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 14.7 t -156.09 167.65 29.74 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 122.231 1.015 . . . . 0.0 113.222 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.403 ' SG ' ' HB3' ' A' ' 32' ' ' CYS . 99.6 m -123.64 49.33 1.73 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.91 2.484 . . . . 0.0 110.915 177.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -98.79 45.05 1.01 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.845 1.258 . . . . 0.0 108.66 163.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.7 t 17.41 70.3 0.2 Allowed Pre-proline 0 CA--C 1.543 0.68 0 C-N-CA 128.553 2.741 . . . . 0.0 113.516 -161.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -71.76 166.62 28.94 Favored 'Trans proline' 0 CA--C 1.537 0.659 0 C-N-CA 123.442 2.761 . . . . 0.0 113.836 -165.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -87.5 72.94 9.59 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.086 1.754 . . . . 0.0 110.883 -165.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.2 t-20 31.57 88.56 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 C-N-CA 127.581 2.352 . . . . 0.0 113.903 164.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 78.7 Cg_exo -55.03 81.5 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 125.285 3.99 . . . . 0.0 112.988 172.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -58.83 -43.68 90.73 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.925 1.69 . . . . 0.0 112.544 -174.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -70.2 99.63 1.54 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.554 1.542 . . . . 0.0 107.583 176.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 72.04 79.54 0.43 Allowed Glycine 0 CA--C 1.535 1.32 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 -161.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -45.61 125.77 8.08 Favored 'Trans proline' 0 C--N 1.352 0.714 1 C-N-CA 125.565 4.176 . . . . 0.0 114.635 -167.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . 71.95 -30.37 0.21 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.887 2.075 . . . . 0.0 114.318 -178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.6 m -75.96 103.83 6.21 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.902 1.681 . . . . 0.0 109.617 -175.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.074 0 O-C-N 122.106 -0.371 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_