data_2jzw_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 2jzw _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 ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 21.7 p-80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.226 -0.149 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.761 0.315 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.226 -0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.01 0.434 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.595 ' CB ' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.595 ' H ' ' CB ' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.422 0.153 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.227 -0.095 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.43 0.157 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.5 167.1 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 124.439 1.096 . . . . 0.0 109.038 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.449 ' C ' ' H ' ' A' ' 44' ' ' HIS . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.479 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 21.7 p-80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.479 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -141.63 32.75 1.64 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.66 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.746 1.218 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.15 59.58 1.57 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.166 1.387 . . . . 0.0 109.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -85.24 68.04 10.37 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.75 0.82 . . . . 0.0 109.248 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.0 -60.17 2.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.49 0.716 . . . . 0.0 109.322 175.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.54 1.536 . . . . 0.0 108.781 178.464 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 0 O4'-C1'-N19 110.278 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 C2'-C3'-O3' 121.256 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 2 P-O3'-C3' 127.294 6.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 3 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 1 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 123.406 3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.679 0 P-O3'-C3' 123.217 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.95 164.59 27.21 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.912 1.285 . . . . 0.0 112.287 -174.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.423 ' HB3' ' C4 ' ' B' ' 108' ' ' ' DT' . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.537 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.537 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p 63.64 33.86 12.83 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -74.3 -86.04 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.534 1.134 . . . . 0.0 108.69 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -90.62 54.0 2.58 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.699 1.199 . . . . 0.0 109.221 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -144.41 157.79 44.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.828 0.851 . . . . 0.0 110.993 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.12 60.99 3.88 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.223 1.809 . . . . 0.0 109.465 -174.298 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 C4'-C3'-C2' 99.635 -3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 P-O3'-C3' 123.938 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 113.161 6.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 2 O4'-C1'-N19 111.873 5.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 2 O4'-C1'-N19 112.132 5.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.423 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.711 1 P-O3'-C3' 126.863 5.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 P-O3'-C3' 124.233 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 1 O4'-C1'-N19 113.181 6.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 113.144 6.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 2 P-O3'-C3' 127.696 6.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.85 158.45 39.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 C-N-CA 124.552 1.141 . . . . 0.0 110.4 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -159.32 35.93 0.2 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.2 -61.14 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.141 1.376 . . . . 0.0 109.172 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -81.51 41.1 0.61 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.052 0.941 . . . . 0.0 110.943 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 47.23 67.4 0.81 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.258 2.223 . . . . 0.0 112.866 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.57 46.21 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.168 0.587 . . . . 0.0 109.626 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.402 -1.761 . . . . 0.0 110.95 178.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.064 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 123.291 2.993 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 2 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 3 C4'-C3'-C2' 97.255 -5.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.466 0 O4'-C1'-N19 110.007 2.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.081 3 O4'-C1'-N19 113.598 7.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 115.585 9.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.531 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 1 P-O3'-C3' 125.535 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.26 2 P-O3'-C3' 125.867 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 2 P-O3'-C3' 126.607 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m -149.29 163.65 4.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.73 0.812 . . . . 0.0 111.307 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.469 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.469 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t -116.14 -16.71 10.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -48.08 -81.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.545 1.538 . . . . 0.0 112.354 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -105.68 41.94 1.31 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.733 1.613 . . . . 0.0 109.519 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -67.37 95.27 0.43 Allowed 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 126.328 1.851 . . . . 0.0 110.596 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.8 55.47 0.48 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.86 1.264 . . . . 0.0 108.32 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.332 -1.794 . . . . 0.0 109.291 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 113.168 6.71 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.839 ' O4 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.991 0 P-O3'-C3' 123.418 3.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 114.334 8.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 1 P-O3'-C3' 124.993 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 1 P-O3'-C3' 126.482 5.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 2 O4'-C1'-N19 113.518 7.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.495 2 O4'-C1'-N19 115.889 10.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 115.624 9.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 P-O3'-C3' 123.728 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . 0.839 ' O2 ' ' O4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.625 1 O4'-C1'-N19 111.555 4.693 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.898 -0.096 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.08 168.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -174.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.483 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.483 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -127.72 -13.53 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -48.89 -69.95 0.1 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.939 1.696 . . . . 0.0 111.533 -175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.63 90.61 1.87 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.839 1.256 . . . . 0.0 109.238 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.22 173.0 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.706 1.202 . . . . 0.0 108.562 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.58 -45.1 66.02 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.307 176.202 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 113.001 6.501 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.739 ' H71' ' N3 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.67 4.838 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.782 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.512 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 1 O4'-C1'-N19 112.801 6.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 2 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.781 2 P-O3'-C3' 126.523 5.686 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 0 C4'-C3'-C2' 99.223 -3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.404 2 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 117.337 11.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.64 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . 0.739 ' N3 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.604 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -160.01 157.23 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.53 0.732 . . . . 0.0 109.904 -174.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' HB3' ' CD ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.566 ' SG ' ' HG3' ' A' ' 51' ' ' GLU . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p -147.25 12.27 1.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.566 ' HG3' ' SG ' ' A' ' 49' ' ' CYS . 7.9 mt-10 -11.18 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.65 2.78 . . . . 0.0 114.478 -174.098 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -140.77 45.8 1.79 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.701 2.0 . . . . 0.0 106.898 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -113.47 153.28 28.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.101 1.36 . . . . 0.0 109.896 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 62.68 6.37 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 116.977 -1.487 . . . . 0.0 108.447 -175.036 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 P-O3'-C3' 123.514 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.99 5.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 2 P-O3'-C3' 125.098 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.643 " C4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 2 O4'--C4' 1.389 -5.227 3 C3'-C2'-C1' 95.551 -5.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.643 ' H71' " C4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.947 2 P-O3'-C3' 127.351 6.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 O4'-C1'-N19 112.867 6.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 0 P-O3'-C3' 124.097 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 1 O4'-C1'-N19 112.1 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.927 -0.027 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.6 159.38 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.55 1.14 . . . . 0.0 108.589 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.9 t-20 -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -138.95 17.61 2.64 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -54.75 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.827 1.251 . . . . 0.0 111.239 175.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.54 81.6 1.99 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.983 1.713 . . . . 0.0 108.066 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -72.76 75.43 1.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.832 1.253 . . . . 0.0 111.384 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.74 60.61 4.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.176 0.99 . . . . 0.0 110.62 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.202 1.801 . . . . 0.0 111.982 177.869 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 1.21 ' C8 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.056 2 O4'-C1'-N19 113.099 6.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 1.21 ' H71' ' C8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 P-O3'-C3' 123.286 2.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 112.747 6.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 2 O4'-C1'-N19 112.533 5.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 C2'-C3'-O3' 119.058 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 P-O3'-C3' 127.085 6.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 2 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 2 O4'-C1'-N19 116.879 11.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 113.153 6.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 1 P-O3'-C3' 125.161 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 112.148 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.593 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.266 0.099 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -164.55 163.19 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.65 0.78 . . . . 0.0 109.733 -174.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -150.93 37.48 0.64 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.44 -95.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.786 1.635 . . . . 0.0 109.021 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -84.92 65.82 9.4 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.395 1.478 . . . . 0.0 108.66 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -67.96 91.1 0.33 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.376 1.47 . . . . 0.0 110.179 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.26 135.52 14.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.567 1.147 . . . . 0.0 108.741 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.514 1.925 . . . . 0.0 112.769 -176.787 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 1.197 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.933 2 O4'-C1'-N19 113.267 6.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 1.197 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.715 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 P-O3'-C3' 123.284 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 2 O4'-C1'-N19 112.063 5.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 P-O3'-C3' 126.564 5.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 1 O4'-C1'-N19 118.152 12.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 116.808 11.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.945 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 113.942 7.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 109.805 2.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m -144.04 166.34 13.17 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 125.063 1.345 . . . . 0.0 110.524 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p 54.46 28.73 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -48.25 -82.88 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.936 2.494 . . . . 0.0 111.412 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -89.59 54.28 2.84 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.452 0.701 . . . . 0.0 109.144 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -142.0 -42.88 0.34 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.877 1.271 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.18 76.7 0.3 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.63 1.572 . . . . 0.0 108.725 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.048 1.739 . . . . 0.0 110.897 -174.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 C4'-C3'-C2' 99.704 -3.496 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 P-O3'-C3' 123.463 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 114.064 7.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 2 O4'-C1'-C2' 101.135 -4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.475 5.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.582 1 P-O3'-C3' 125.417 4.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 2 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 1 O4'-C1'-N19 113.839 7.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 116.361 10.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.111 1 C4'-C3'-C2' 98.816 -4.384 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -140.06 169.05 16.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 125.545 1.538 . . . . 0.0 110.101 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.402 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.402 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.467 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.467 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -156.09 20.56 0.37 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -34.28 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.349 0.568 0 C-N-CA 127.373 2.269 . . . . 0.0 113.204 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.28 21.19 14.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.561 1.144 . . . . 0.0 111.534 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -105.38 -50.32 3.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.016 1.327 . . . . 0.0 109.722 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 73.09 -65.22 0.37 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.193 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.195 -1.383 . . . . 0.0 109.04 179.143 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 1 O4'-C1'-N19 111.789 4.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 112.656 6.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 N19-C1'-C2' 120.171 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 3 O4'-C1'-N19 115.291 9.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.932 3 O4'-C1'-N19 116.335 10.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O5'-C5'-C4' 115.269 3.621 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.36 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 122.791 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C1'-N19 110.13 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 P-O3'-C3' 123.097 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.85 160.16 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.487 1.115 . . . . 0.0 111.023 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.439 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.464 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -128.57 -11.55 5.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -43.25 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.35 0.605 0 C-N-CA 126.4 1.88 . . . . 0.0 112.575 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 mtm105 -97.94 38.53 1.3 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.848 0.859 . . . . 0.0 108.916 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.81 62.19 1.58 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.13 1.772 . . . . 0.0 108.08 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 135.6 54.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.332 0.653 . . . . 0.0 110.318 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.068 -1.444 . . . . 0.0 108.345 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 99.848 -3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 P-O3'-C3' 123.772 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 123.511 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 113.815 7.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 2 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.165 5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 1 P-O3'-C3' 126.259 5.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.335 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 115.774 9.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 2 O4'-C1'-N19 112.016 5.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.591 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.442 5.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.151 0.056 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -128.92 162.14 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 124.626 1.17 . . . . 0.0 110.226 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.595 ' CB ' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.595 ' H ' ' CB ' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -159.12 38.62 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.28 -109.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -102.42 64.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -86.18 61.86 7.08 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 123.324 0.65 . . . . 0.0 110.822 -174.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.48 75.91 4.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.681 -1.628 . . . . 0.0 109.567 -174.784 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.895 1 O4'-C1'-N19 113.018 6.523 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O3'-C3' 123.865 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.652 " C4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.383 -5.714 4 O4'-C1'-N19 103.418 -5.478 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.652 ' H71' " C4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 127.312 6.344 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 3 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.376 2 O4'-C1'-N19 112.108 5.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.247 0 O4'-C1'-N19 109.908 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.95 167.39 12.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p -119.41 -26.64 5.76 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.59 -77.97 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.14 1.776 . . . . 0.0 111.246 -174.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -115.74 88.31 2.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.04 -165.84 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.357 1.863 . . . . 0.0 110.395 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 61.08 2.0 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.115 0.966 . . . . 0.0 111.981 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 126.296 1.838 . . . . 0.0 111.307 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 113.129 6.662 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.204 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.598 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 112.895 6.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 2 P-O3'-C3' 126.427 5.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.527 1 C4'-C3'-C2' 97.811 -5.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.04 1 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 113.918 7.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 2 O4'-C1'-N19 117.309 11.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 1 O4'-C1'-N19 113.513 7.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.109 0 P-O3'-C3' 123.842 3.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 C5'--C4' 1.545 4.257 1 C4'-C3'-C2' 98.509 -4.691 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 013 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.052 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -168.98 166.21 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.999 1.32 . . . . 0.0 107.922 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t -152.41 40.59 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.64 -80.74 0.09 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.924 1.29 . . . . 0.0 107.898 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -142.09 86.68 1.99 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.61 1.564 . . . . 0.0 107.263 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.94 -65.52 0.67 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.485 0.714 . . . . 0.0 110.075 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.18 -75.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.325 1.85 . . . . 0.0 112.302 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.821 -1.085 . . . . 0.0 108.991 -175.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.845 ' C6 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 C4'-C3'-C2' 100.145 -3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.37 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 112.541 5.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 2 O4'-C1'-N19 112.031 5.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 2 O4'-C1'-C2' 100.605 -4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 P-O3'-C3' 126.548 5.706 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.991 2 O4'-C1'-N19 113.827 7.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.923 1 O4'-C1'-N19 114.509 8.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 124.12 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 2 O4'-C1'-N19 113.538 7.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . 0.845 ' O2 ' ' C6 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.45 1 O4'-C1'-N19 112.421 5.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.79 84.41 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 124.568 1.147 . . . . 0.0 110.61 -174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.0 t-20 -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p 56.27 39.38 30.21 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.25 -80.0 0.13 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.31 74.34 1.42 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.553 1.541 . . . . 0.0 107.386 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.04 61.81 4.76 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.546 0.739 . . . . 0.0 110.795 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.05 79.9 5.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.193 1.797 . . . . 0.0 110.115 -174.711 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 1.245 ' C8 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 1.245 ' H71' ' C8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.045 2.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.434 1 O4'-C1'-N19 112.515 5.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 112.123 5.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 1 P-O3'-C3' 126.729 5.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 1 O4'-C1'-N19 112.814 6.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 4 O4'-C1'-N19 119.607 14.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 C4'-C3'-C2' 99.609 -3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 113.137 6.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.915 5.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 N--CA 1.473 0.694 0 CA-C-O 121.257 0.551 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.6 168.06 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 126.627 1.971 . . . . 0.0 110.62 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p -130.22 -6.89 4.32 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -46.93 -81.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.636 1.974 . . . . 0.0 112.26 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -134.58 70.19 1.45 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -43.55 111.13 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.266 1.826 . . . . 0.0 113.06 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 106.38 0.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.825 1.65 . . . . 0.0 106.965 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.493 -1.242 . . . . 0.0 110.409 -174.963 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.985 ' H8 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.325 1 O4'-C1'-N19 111.845 5.056 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.985 ' H71' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 1 O4'-C1'-N19 111.065 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 3 C4'-C3'-C2' 98.234 -4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . 0.651 " C4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.39 -5.104 3 C3'-C2'-C1' 95.502 -5.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . 0.651 ' H71' " C4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.957 1 P-O3'-C3' 127.711 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 112.768 6.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 2 O4'-C1'-N19 113.833 7.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 P-O3'-C3' 124.037 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.169 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.26 166.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.632 1.573 . . . . 0.0 107.388 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t -157.68 42.52 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.2 -86.33 0.24 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.75 1.62 . . . . 0.0 107.713 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.47 71.73 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 60.83 -179.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.014 2.126 . . . . 0.0 112.638 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.14 -66.59 1.06 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.139 1.376 . . . . 0.0 108.587 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.536 -1.221 . . . . 0.0 109.889 176.918 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 112.826 6.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 P-O3'-C3' 123.902 3.502 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.588 4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.803 6.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 124.378 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 2 O4'-C1'-N19 113.353 6.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 2 P-O3'-C3' 126.648 5.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 113.334 6.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 117.528 12.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 117.05 11.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 0 P-O3'-C3' 123.826 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 113.366 6.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.018 2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m -158.93 171.78 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.998 1.319 . . . . 0.0 110.788 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -121.62 -16.44 7.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.9 -101.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.342 1.857 . . . . 0.0 112.613 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -90.62 65.09 5.89 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.387 1.475 . . . . 0.0 109.818 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -74.84 -82.25 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.449 1.1 . . . . 0.0 110.978 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.71 8.36 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.366 1.066 . . . . 0.0 110.566 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.102 -1.428 . . . . 0.0 108.261 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . 0.401 " H2'" ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C1'-N19 113.376 6.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . 0.401 ' C6 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C4'-C3' 108.308 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.801 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 112.761 6.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 112.001 5.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 115.677 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 P-O3'-C3' 126.555 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 3 O4'-C1'-N19 115.096 9.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.857 0 P-O3'-C3' 123.566 3.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 2 P-O3'-C3' 126.741 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.77 154.18 37.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 124.699 1.2 . . . . 0.0 110.09 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.465 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t -129.04 -18.53 3.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' CD ' ' H ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -28.27 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.349 0.557 0 C-N-CA 129.216 3.006 . . . . 0.0 113.831 -174.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 54.26 56.32 7.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.65 1.58 . . . . 0.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -84.03 65.75 8.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.7 1.2 . . . . 0.0 109.1 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 68.82 7.02 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.423 1.089 . . . . 0.0 110.0 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.969 178.085 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.425 4.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 1 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 112.781 6.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 2 O4'-C1'-C2' 100.954 -4.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 2 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 P-O3'-C3' 126.422 5.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 2 O4'-C1'-N19 114.857 8.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 1 O4'-C1'-N19 112.019 5.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 109.966 2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' A' ' 49' ' ' CYS . 34.5 p80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.406 ' HB2' ' CE1' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.226 -0.149 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 24' ' ' THR . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.761 0.315 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.226 -0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.449 HD22 ' HB3' ' A' ' 28' ' ' CYS . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.01 0.434 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.954 ' H ' ' HB3' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.422 0.153 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.489 HD22 ' HB3' ' A' ' 28' ' ' CYS . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB3' HD22 ' A' ' 17' ' ' ASN . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.227 -0.095 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.43 0.157 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.5 167.1 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 124.439 1.096 . . . . 0.0 109.038 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 21.7 p-80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -141.63 32.75 1.64 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.66 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.746 1.218 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.15 59.58 1.57 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.166 1.387 . . . . 0.0 109.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -85.24 68.04 10.37 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.75 0.82 . . . . 0.0 109.248 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.0 -60.17 2.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.49 0.716 . . . . 0.0 109.322 175.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.54 1.536 . . . . 0.0 108.781 178.464 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 0 O4'-C1'-N19 110.278 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 C2'-C3'-O3' 121.256 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 2 P-O3'-C3' 127.294 6.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 3 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 1 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 123.406 3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.679 0 P-O3'-C3' 123.217 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.95 164.59 27.21 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.912 1.285 . . . . 0.0 112.287 -174.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' C4 ' ' B' ' 108' ' ' ' DT' . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 74.0 m-80 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p 63.64 33.86 12.83 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -74.3 -86.04 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.534 1.134 . . . . 0.0 108.69 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -90.62 54.0 2.58 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.699 1.199 . . . . 0.0 109.221 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -144.41 157.79 44.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.828 0.851 . . . . 0.0 110.993 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.12 60.99 3.88 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.223 1.809 . . . . 0.0 109.465 -174.298 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 C4'-C3'-C2' 99.635 -3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 P-O3'-C3' 123.938 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 113.161 6.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 2 O4'-C1'-N19 111.873 5.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 2 O4'-C1'-N19 112.132 5.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.437 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.711 1 P-O3'-C3' 126.863 5.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 P-O3'-C3' 124.233 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 1 O4'-C1'-N19 113.181 6.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 113.144 6.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 2 P-O3'-C3' 127.696 6.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.85 158.45 39.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 C-N-CA 124.552 1.141 . . . . 0.0 110.4 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 24' ' ' THR . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -159.32 35.93 0.2 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.2 -61.14 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.141 1.376 . . . . 0.0 109.172 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -81.51 41.1 0.61 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.052 0.941 . . . . 0.0 110.943 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 47.23 67.4 0.81 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.258 2.223 . . . . 0.0 112.866 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.57 46.21 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.168 0.587 . . . . 0.0 109.626 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.402 -1.761 . . . . 0.0 110.95 178.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.064 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.407 " H1'" " H5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 123.291 2.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 2 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 3 C4'-C3'-C2' 97.255 -5.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.498 ' C2 ' ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.628 3.466 0 O4'-C1'-N19 110.007 2.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' H72' ' C2 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.081 3 O4'-C1'-N19 113.598 7.247 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 115.585 9.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.531 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 1 P-O3'-C3' 125.535 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.26 2 P-O3'-C3' 125.867 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 2 P-O3'-C3' 126.607 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m -149.29 163.65 4.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.73 0.812 . . . . 0.0 111.307 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t -116.14 -16.71 10.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -48.08 -81.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.545 1.538 . . . . 0.0 112.354 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -105.68 41.94 1.31 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.733 1.613 . . . . 0.0 109.519 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -67.37 95.27 0.43 Allowed 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 126.328 1.851 . . . . 0.0 110.596 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.8 55.47 0.48 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.86 1.264 . . . . 0.0 108.32 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.332 -1.794 . . . . 0.0 109.291 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.46 " H1'" ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 113.168 6.71 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.839 ' O4 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.427 " H1'" " H5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 2.991 0 P-O3'-C3' 123.418 3.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 114.334 8.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 1 P-O3'-C3' 124.993 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 1 P-O3'-C3' 126.482 5.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 2 O4'-C1'-N19 113.518 7.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.495 2 O4'-C1'-N19 115.889 10.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 115.624 9.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 P-O3'-C3' 123.728 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . 0.839 ' O2 ' ' O4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.625 1 O4'-C1'-N19 111.555 4.693 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.898 -0.096 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.08 168.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -174.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -127.72 -13.53 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -48.89 -69.95 0.1 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.939 1.696 . . . . 0.0 111.533 -175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.63 90.61 1.87 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.839 1.256 . . . . 0.0 109.238 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.22 173.0 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.706 1.202 . . . . 0.0 108.562 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.58 -45.1 66.02 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.307 176.202 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.422 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 113.001 6.501 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.508 ' H71' ' N3 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.67 4.838 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.782 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.512 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 1 O4'-C1'-N19 112.801 6.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 2 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.511 " O4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.511 ' H72' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 P--O5' 1.621 2.781 2 P-O3'-C3' 126.523 5.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 0 C4'-C3'-C2' 99.223 -3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.404 2 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 117.337 11.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.64 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . 0.508 ' N3 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.604 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -160.01 157.23 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.53 0.732 . . . . 0.0 109.904 -174.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 51' ' ' GLU . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p -147.25 12.27 1.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.613 ' HG3' ' SG ' ' A' ' 49' ' ' CYS . 7.9 mt-10 -11.18 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.65 2.78 . . . . 0.0 114.478 -174.098 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -140.77 45.8 1.79 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.701 2.0 . . . . 0.0 106.898 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -113.47 153.28 28.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.101 1.36 . . . . 0.0 109.896 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 62.68 6.37 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 116.977 -1.487 . . . . 0.0 108.447 -175.036 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 P-O3'-C3' 123.514 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.99 5.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 2 P-O3'-C3' 125.098 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.551 " H4'" ' H73' ' B' ' 108' ' ' ' DT' . . . . . . . . 2 O4'--C4' 1.389 -5.227 3 C3'-C2'-C1' 95.551 -5.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.551 ' H73' " H4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.947 2 P-O3'-C3' 127.351 6.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 O4'-C1'-N19 112.867 6.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 0 P-O3'-C3' 124.097 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 1 O4'-C1'-N19 112.1 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.927 -0.027 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.6 159.38 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.55 1.14 . . . . 0.0 108.589 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.422 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 0.8 OUTLIER -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -138.95 17.61 2.64 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -54.75 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.827 1.251 . . . . 0.0 111.239 175.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.54 81.6 1.99 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.983 1.713 . . . . 0.0 108.066 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -72.76 75.43 1.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.832 1.253 . . . . 0.0 111.384 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.74 60.61 4.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.176 0.99 . . . . 0.0 110.62 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.202 1.801 . . . . 0.0 111.982 177.869 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.988 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.056 2 O4'-C1'-N19 113.099 6.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.988 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 P-O3'-C3' 123.286 2.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 112.747 6.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 2 O4'-C1'-N19 112.533 5.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 C2'-C3'-O3' 119.058 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 P-O3'-C3' 127.085 6.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 2 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 2 O4'-C1'-N19 116.879 11.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 113.153 6.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 1 P-O3'-C3' 125.161 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 112.148 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.593 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.266 0.099 . . . . 0.0 111.266 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -164.55 163.19 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.65 0.78 . . . . 0.0 109.733 -174.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HG2' ' H72' ' B' ' 109' ' ' ' DT' . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -150.93 37.48 0.64 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.44 -95.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.786 1.635 . . . . 0.0 109.021 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -84.92 65.82 9.4 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.395 1.478 . . . . 0.0 108.66 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -67.96 91.1 0.33 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.376 1.47 . . . . 0.0 110.179 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.26 135.52 14.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.567 1.147 . . . . 0.0 108.741 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.514 1.925 . . . . 0.0 112.769 -176.787 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 1.228 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.933 2 O4'-C1'-N19 113.267 6.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 1.228 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.715 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 P-O3'-C3' 123.284 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 2 O4'-C1'-N19 112.063 5.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 P-O3'-C3' 126.564 5.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.466 ' H72' ' HG2' ' A' ' 32' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.931 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 1 O4'-C1'-N19 118.152 12.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 116.808 11.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.945 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 113.942 7.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 109.805 2.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m -144.04 166.34 13.17 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 125.063 1.345 . . . . 0.0 110.524 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.449 HD22 ' HB3' ' A' ' 28' ' ' CYS . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p 54.46 28.73 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -48.25 -82.88 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.936 2.494 . . . . 0.0 111.412 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -89.59 54.28 2.84 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.452 0.701 . . . . 0.0 109.144 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -142.0 -42.88 0.34 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.877 1.271 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.18 76.7 0.3 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.63 1.572 . . . . 0.0 108.725 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.048 1.739 . . . . 0.0 110.897 -174.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 ' C4 ' ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 C4'-C3'-C2' 99.704 -3.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.507 ' H72' ' C4 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 P-O3'-C3' 123.463 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 114.064 7.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 2 O4'-C1'-C2' 101.135 -4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.475 5.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.582 1 P-O3'-C3' 125.417 4.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 2 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 1 O4'-C1'-N19 113.839 7.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 116.361 10.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . 0.427 " H1'" " H5'" ' B' ' 113' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.111 1 C4'-C3'-C2' 98.816 -4.384 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . 0.427 " H5'" " H1'" ' B' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -140.06 169.05 16.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 125.545 1.538 . . . . 0.0 110.101 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB3' ' H71' ' B' ' 109' ' ' ' DT' . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -156.09 20.56 0.37 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -34.28 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.349 0.568 0 C-N-CA 127.373 2.269 . . . . 0.0 113.204 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.28 21.19 14.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.561 1.144 . . . . 0.0 111.534 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -105.38 -50.32 3.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.016 1.327 . . . . 0.0 109.722 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 73.09 -65.22 0.37 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.193 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.195 -1.383 . . . . 0.0 109.04 179.143 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 1 O4'-C1'-N19 111.789 4.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 112.656 6.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 N19-C1'-C2' 120.171 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 3 O4'-C1'-N19 115.291 9.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.932 3 O4'-C1'-N19 116.335 10.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.466 ' H71' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O5'-C5'-C4' 115.269 3.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.36 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 122.791 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C1'-N19 110.13 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 P-O3'-C3' 123.097 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.85 160.16 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.487 1.115 . . . . 0.0 111.023 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -128.57 -11.55 5.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -43.25 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.35 0.605 0 C-N-CA 126.4 1.88 . . . . 0.0 112.575 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 mtm105 -97.94 38.53 1.3 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.848 0.859 . . . . 0.0 108.916 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.81 62.19 1.58 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.13 1.772 . . . . 0.0 108.08 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 135.6 54.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.332 0.653 . . . . 0.0 110.318 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.068 -1.444 . . . . 0.0 108.345 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 99.848 -3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 P-O3'-C3' 123.772 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 123.511 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 113.815 7.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 2 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.165 5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 1 P-O3'-C3' 126.259 5.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.335 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 115.774 9.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 2 O4'-C1'-N19 112.016 5.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.591 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.442 5.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.151 0.056 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -128.92 162.14 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 124.626 1.17 . . . . 0.0 110.226 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.954 ' H ' ' HB3' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HB3' ' H72' ' B' ' 109' ' ' ' DT' . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.5 mm-40 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -159.12 38.62 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.28 -109.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -102.42 64.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -86.18 61.86 7.08 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 123.324 0.65 . . . . 0.0 110.822 -174.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.48 75.91 4.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.681 -1.628 . . . . 0.0 109.567 -174.784 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.488 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.895 1 O4'-C1'-N19 113.018 6.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.488 ' H73' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O3'-C3' 123.865 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.383 -5.714 4 O4'-C1'-N19 103.418 -5.478 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 127.312 6.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.419 ' H72' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 3 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.376 2 O4'-C1'-N19 112.108 5.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.247 0 O4'-C1'-N19 109.908 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.95 167.39 12.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p -119.41 -26.64 5.76 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.59 -77.97 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.14 1.776 . . . . 0.0 111.246 -174.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -115.74 88.31 2.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.04 -165.84 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.357 1.863 . . . . 0.0 110.395 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 61.08 2.0 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.115 0.966 . . . . 0.0 111.981 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 126.296 1.838 . . . . 0.0 111.307 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.435 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 113.129 6.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.435 ' H73' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.204 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.598 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 112.895 6.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 2 P-O3'-C3' 126.427 5.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.411 " O4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.527 1 C4'-C3'-C2' 97.811 -5.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.411 ' H71' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.04 1 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 113.918 7.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 2 O4'-C1'-N19 117.309 11.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 1 O4'-C1'-N19 113.513 7.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . 0.41 " H1'" " H5'" ' B' ' 113' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.109 0 P-O3'-C3' 123.842 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . 0.41 " H5'" " H1'" ' B' ' 112' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.545 4.257 1 C4'-C3'-C2' 98.509 -4.691 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.052 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -168.98 166.21 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.999 1.32 . . . . 0.0 107.922 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t -152.41 40.59 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.64 -80.74 0.09 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.924 1.29 . . . . 0.0 107.898 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -142.09 86.68 1.99 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.61 1.564 . . . . 0.0 107.263 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.94 -65.52 0.67 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.485 0.714 . . . . 0.0 110.075 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.18 -75.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.325 1.85 . . . . 0.0 112.302 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.821 -1.085 . . . . 0.0 108.991 -175.931 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.845 ' C6 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 C4'-C3'-C2' 100.145 -3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.37 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 112.541 5.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 2 O4'-C1'-N19 112.031 5.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 2 O4'-C1'-C2' 100.605 -4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.578 H2'' ' H71' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.398 1 P-O3'-C3' 126.548 5.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . 0.578 ' H71' H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.991 2 O4'-C1'-N19 113.827 7.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.923 1 O4'-C1'-N19 114.509 8.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 124.12 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 2 O4'-C1'-N19 113.538 7.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . 0.845 ' O2 ' ' C6 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.45 1 O4'-C1'-N19 112.421 5.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.51 ' N ' HD21 ' A' ' 12' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.79 84.41 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 124.568 1.147 . . . . 0.0 110.61 -174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.408 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 0.7 OUTLIER -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p 56.27 39.38 30.21 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.25 -80.0 0.13 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.31 74.34 1.42 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.553 1.541 . . . . 0.0 107.386 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.04 61.81 4.76 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.546 0.739 . . . . 0.0 110.795 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.05 79.9 5.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.193 1.797 . . . . 0.0 110.115 -174.711 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 1.004 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 1.004 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.045 2.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.434 1 O4'-C1'-N19 112.515 5.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 112.123 5.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 1 P-O3'-C3' 126.729 5.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 1 O4'-C1'-N19 112.814 6.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 4 O4'-C1'-N19 119.607 14.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 C4'-C3'-C2' 99.609 -3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 113.137 6.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.915 5.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 N--CA 1.473 0.694 0 CA-C-O 121.257 0.551 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.6 168.06 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 126.627 1.971 . . . . 0.0 110.62 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p -130.22 -6.89 4.32 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -46.93 -81.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.636 1.974 . . . . 0.0 112.26 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -134.58 70.19 1.45 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -43.55 111.13 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.266 1.826 . . . . 0.0 113.06 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 106.38 0.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.825 1.65 . . . . 0.0 106.965 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.493 -1.242 . . . . 0.0 110.409 -174.963 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 1.024 ' H8 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.325 1 O4'-C1'-N19 111.845 5.056 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 1.024 ' H71' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 1 O4'-C1'-N19 111.065 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 3 C4'-C3'-C2' 98.234 -4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 " C5'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.39 -5.104 3 C3'-C2'-C1' 95.502 -5.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . 0.448 ' H72' " C5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.957 1 P-O3'-C3' 127.711 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 112.768 6.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 2 O4'-C1'-N19 113.833 7.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 P-O3'-C3' 124.037 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.169 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.26 166.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.632 1.573 . . . . 0.0 107.388 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.489 HD22 ' HB3' ' A' ' 28' ' ' CYS . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB3' HD22 ' A' ' 17' ' ' ASN . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t -157.68 42.52 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.2 -86.33 0.24 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.75 1.62 . . . . 0.0 107.713 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.47 71.73 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 60.83 -179.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.014 2.126 . . . . 0.0 112.638 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.14 -66.59 1.06 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.139 1.376 . . . . 0.0 108.587 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.536 -1.221 . . . . 0.0 109.889 176.918 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 112.826 6.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.461 " H1'" " H5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 P-O3'-C3' 123.902 3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.588 4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.803 6.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 124.378 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 2 O4'-C1'-N19 113.353 6.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 2 P-O3'-C3' 126.648 5.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 113.334 6.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 117.528 12.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 117.05 11.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 0 P-O3'-C3' 123.826 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 113.366 6.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.018 2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m -158.93 171.78 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.998 1.319 . . . . 0.0 110.788 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -121.62 -16.44 7.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.9 -101.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.342 1.857 . . . . 0.0 112.613 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -90.62 65.09 5.89 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.387 1.475 . . . . 0.0 109.818 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -74.84 -82.25 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.449 1.1 . . . . 0.0 110.978 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.71 8.36 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.366 1.066 . . . . 0.0 110.566 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.102 -1.428 . . . . 0.0 108.261 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C1'-N19 113.376 6.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C4'-C3' 108.308 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.801 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 112.761 6.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 112.001 5.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 115.677 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 P-O3'-C3' 126.555 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 3 O4'-C1'-N19 115.096 9.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.857 0 P-O3'-C3' 123.566 3.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 2 P-O3'-C3' 126.741 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.77 154.18 37.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 124.699 1.2 . . . . 0.0 110.09 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t -129.04 -18.53 3.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -28.27 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.349 0.557 0 C-N-CA 129.216 3.006 . . . . 0.0 113.831 -174.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 54.26 56.32 7.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.65 1.58 . . . . 0.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -84.03 65.75 8.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.7 1.2 . . . . 0.0 109.1 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 68.82 7.02 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.423 1.089 . . . . 0.0 110.0 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.969 178.085 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.425 4.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 1 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 112.781 6.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 2 O4'-C1'-C2' 100.954 -4.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 2 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 P-O3'-C3' 126.422 5.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 2 O4'-C1'-N19 114.857 8.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 1 O4'-C1'-N19 112.019 5.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 109.966 2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p . . . . . 0 C--O 1.227 -0.127 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 21.7 p-80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p . . . . . 0 CA--C 1.53 0.175 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.537 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p . . . . . 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 C--O 1.226 -0.149 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 24' ' ' THR . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 CA--C 1.526 0.045 0 CA-C-O 120.761 0.315 . . . . 0.0 111.307 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p . . . . . 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.527 HD22 ' HB3' ' A' ' 28' ' ' CYS . 49.9 t-20 -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.527 ' HB3' HD22 ' A' ' 17' ' ' ASN . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p . . . . . 0 CA--C 1.534 0.336 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m . . . . . 0 C--O 1.226 -0.162 0 CA-C-O 120.67 0.271 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.449 HD22 ' HB3' ' A' ' 28' ' ' CYS . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.449 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m . . . . . 0 C--O 1.226 -0.173 0 N-CA-C 110.101 -0.333 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.456 -0.147 0 CA-C-O 121.01 0.434 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t . . . . . 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m . . . . . 0 CA--C 1.528 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.954 ' H ' ' HB3' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t . . . . . 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m . . . . . 0 CA--C 1.53 0.209 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p . . . . . 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p . . . . . 0 CA--C 1.531 0.225 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m . . . . . 0 C--O 1.223 -0.31 0 CA-C-O 120.862 0.363 . . . . 0.0 110.61 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.535 HD22 ' HB3' ' A' ' 28' ' ' CYS . 44.0 t-20 -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p . . . . . 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.452 -0.369 0 CA-C-O 120.422 0.153 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p . . . . . 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 107.388 -1.338 . . . . 0.0 107.388 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.489 HD22 ' HB3' ' A' ' 28' ' ' CYS . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB3' HD22 ' A' ' 17' ' ' ASN . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 CA--C 1.534 0.338 0 CA-C-O 120.367 0.127 . . . . 0.0 110.788 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p . . . . . 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 C--O 1.227 -0.095 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t . . . . . 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.43 0.157 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.9 p -158.5 167.1 0.72 Allowed 'Isoleucine or valine' 0 C--O 1.227 -0.127 0 C-N-CA 124.439 1.096 . . . . 0.0 109.038 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.0 126.92 38.92 Favored 'General case' 0 C--O 1.231 0.125 0 C-N-CA 125.314 1.446 . . . . 0.0 107.207 174.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 30.3 t -62.01 138.51 58.38 Favored 'General case' 0 N--CA 1.45 -0.453 0 C-N-CA 123.438 0.695 . . . . 0.0 111.472 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -83.43 -33.58 25.65 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 124.726 1.21 . . . . 0.0 110.437 -178.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -73.82 -20.61 60.4 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 126.433 1.893 . . . . 0.0 112.609 178.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.6 p -151.7 -28.94 0.18 Allowed 'General case' 0 C--N 1.348 0.532 0 N-CA-C 115.316 1.599 . . . . 0.0 115.316 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.49 -45.11 1.35 Allowed Glycine 0 C--N 1.342 0.892 0 CA-C-N 119.384 0.993 . . . . 0.0 112.293 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -54.1 144.84 18.47 Favored 'General case' 0 C--N 1.34 0.176 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -174.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -77.17 -163.43 0.36 Allowed 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 123.649 0.78 . . . . 0.0 110.43 177.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.6 -33.65 1.61 Allowed Glycine 0 CA--C 1.532 1.106 0 C-N-CA 124.372 0.987 . . . . 0.0 113.436 176.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.411 ' HB2' ' HB2' ' A' ' 27' ' ' ASN . 53.7 p-80 -135.31 175.62 9.42 Favored 'General case' 0 N--CA 1.446 -0.638 0 C-N-CA 125.912 1.685 . . . . 0.0 110.267 -178.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.6 p -120.62 170.92 8.96 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.979 1.312 . . . . 0.0 108.487 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.88 -50.77 44.58 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 123.687 0.795 . . . . 0.0 111.963 -174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -45.59 -38.02 6.11 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.298 1.039 . . . . 0.0 113.455 174.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.411 ' HB2' ' HB2' ' A' ' 23' ' ' HIS . 77.3 m-20 -88.05 -24.34 23.5 Favored 'General case' 0 CA--C 1.531 0.218 0 C-N-CA 125.735 1.614 . . . . 0.0 111.475 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.6 t -68.16 115.04 7.19 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.654 0.782 . . . . 0.0 111.628 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -84.23 67.41 9.77 Favored 'General case' 0 N--CA 1.449 -0.522 0 C-N-CA 123.779 0.832 . . . . 0.0 109.015 174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.4 160.11 60.79 Favored Pre-proline 0 CA--C 1.533 0.296 0 C-N-CA 124.573 1.149 . . . . 0.0 109.948 179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -64.56 116.6 3.87 Favored 'Trans proline' 0 N--CA 1.456 -0.677 0 C-N-CA 123.152 2.568 . . . . 0.0 110.57 177.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -97.25 167.86 10.77 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.245 1.018 . . . . 0.0 111.492 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -89.73 169.37 11.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 126.415 1.886 . . . . 0.0 109.479 -174.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -89.17 -52.89 4.83 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 123.439 0.695 . . . . 0.0 109.256 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.59 179.9 34.69 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.784 0.707 . . . . 0.0 113.933 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 41.6 t -34.42 113.25 0.17 Allowed 'General case' 0 C--N 1.342 0.244 0 C-N-CA 130.216 3.406 . . . . 0.0 110.355 174.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 8.8 m0 -58.56 -40.79 84.07 Favored 'General case' 0 N--CA 1.452 -0.334 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -176.45 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -75.19 -70.31 0.43 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 117.597 0.181 . . . . 0.0 111.414 -174.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.59 -39.03 67.66 Favored 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -174.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 121.48 -44.65 1.32 Allowed Glycine 0 CA--C 1.535 1.303 0 CA-C-O 119.139 -0.812 . . . . 0.0 114.18 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -49.47 159.7 0.32 Allowed 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.186 1.794 . . . . 0.0 110.558 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.32 -36.24 3.81 Favored 'General case' 0 CA--C 1.483 -1.634 0 N-CA-C 118.653 2.835 . . . . 0.0 118.653 -172.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -40.53 -16.4 0.01 OUTLIER Glycine 0 CA--C 1.545 1.955 0 CA-C-N 109.189 -3.642 . . . . 0.0 113.173 173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.512 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 21.7 p-80 -150.8 171.59 16.96 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 127.058 2.143 . . . . 0.0 108.17 174.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.1 mm-40 -106.51 171.51 7.32 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.569 0.748 . . . . 0.0 112.314 -177.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.0 tmm? -59.14 -46.3 88.71 Favored 'General case' 0 CA--C 1.53 0.198 0 O-C-N 120.85 -1.156 . . . . 0.0 111.497 -178.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -53.41 -50.01 66.08 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.173 0.589 . . . . 0.0 110.52 174.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -58.72 -45.17 90.2 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.663 1.585 . . . . 0.0 111.394 -178.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.512 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 44.5 t -63.75 137.23 57.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 125.757 1.623 . . . . 0.0 113.964 -174.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.8 t -141.63 32.75 1.64 Allowed 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 113.01 -1.904 . . . . 0.0 108.708 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -62.66 -88.82 0.01 OUTLIER 'General case' 0 C--N 1.343 0.326 0 C-N-CA 124.746 1.218 . . . . 0.0 110.151 176.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -129.15 59.58 1.57 Allowed 'General case' 0 N--CA 1.449 -0.478 0 C-N-CA 125.166 1.387 . . . . 0.0 109.752 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mp0 -85.24 68.04 10.37 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 123.75 0.82 . . . . 0.0 109.248 175.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.0 -60.17 2.41 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.49 0.716 . . . . 0.0 109.322 175.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 . . . . . 0 C--O 1.25 1.11 0 C-N-CA 125.54 1.536 . . . . 0.0 108.781 178.464 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.856 0 O4'-C1'-N19 110.278 3.097 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.896 0 O4'-C1'-N19 110.857 3.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.617 0 O4'-C1'-N19 110.589 3.486 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.639 1 O4'-C1'-N19 111.07 4.087 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.763 4.954 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.689 2 P-O3'-C3' 125.186 4.572 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.667 0 C2'-C3'-O3' 121.256 3.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.643 2 P-O3'-C3' 127.294 6.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.432 1 O4'-C1'-N19 111.183 4.229 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.475 3 O4'-C1'-N19 112.494 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.88 1 O4'-C1'-N19 112.874 6.343 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.101 0 P-O3'-C3' 123.406 3.089 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.573 1 O4'-C1'-N19 111.168 4.21 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.679 0 P-O3'-C3' 123.217 2.931 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.1 p30 . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 111.558 0.207 . . . . 0.0 111.558 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.3 p -126.95 164.59 27.21 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 C-N-CA 124.912 1.285 . . . . 0.0 112.287 -174.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -123.42 118.01 26.47 Favored 'General case' 0 N--CA 1.453 -0.314 0 N-CA-C 104.427 -2.434 . . . . 0.0 104.427 173.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.1 t -54.63 140.52 35.02 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.905 -177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -88.1 -37.51 16.17 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.583 1.153 . . . . 0.0 109.242 178.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -66.32 -12.92 59.42 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.2 2.2 . . . . 0.0 113.182 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 11.6 p -155.04 -33.37 0.1 Allowed 'General case' 0 C--N 1.347 0.492 0 CA-C-N 120.165 1.348 . . . . 0.0 114.136 175.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 120.27 -50.68 0.81 Allowed Glycine 0 C--N 1.343 0.954 0 C-N-CA 124.093 0.854 . . . . 0.0 111.502 -175.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -54.53 137.96 41.78 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.31 1.044 . . . . 0.0 112.597 -174.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -80.07 -164.42 0.68 Allowed 'General case' 0 N--CA 1.444 -0.767 0 C-N-CA 124.792 1.237 . . . . 0.0 110.465 -174.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 65.2 4.22 15.36 Favored Glycine 0 CA--C 1.534 1.27 0 CA-C-O 118.453 -1.193 . . . . 0.0 114.697 -178.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.0 p-80 -161.77 150.5 15.56 Favored 'General case' 0 C--N 1.343 0.292 0 CA-C-N 119.405 1.603 . . . . 0.0 110.726 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -91.97 171.65 8.97 Favored 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 123.962 0.905 . . . . 0.0 109.578 174.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.66 -36.22 66.84 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 113.549 0.944 . . . . 0.0 113.549 -175.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.437 ' HB3' ' C4 ' ' B' ' 108' ' ' ' DT' . 18.1 ptp180 -66.45 -35.78 81.14 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 119.007 0.822 . . . . 0.0 112.64 175.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 33.8 m120 -82.33 -25.49 33.85 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.955 1.302 . . . . 0.0 111.263 -174.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 47.7 t -57.97 152.73 15.73 Favored 'General case' 0 CA--C 1.533 0.3 0 C-N-CA 124.529 1.131 . . . . 0.0 109.555 174.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.12 64.36 0.84 Allowed 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 109.098 -0.704 . . . . 0.0 109.098 179.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -157.81 165.5 18.55 Favored Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 124.032 0.933 . . . . 0.0 109.998 -176.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 89.8 Cg_endo -92.58 131.89 1.03 Allowed 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 123.366 2.711 . . . . 0.0 109.838 179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.57 176.19 6.98 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.869 0.468 . . . . 0.0 111.007 -179.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -89.24 -167.82 1.99 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 124.765 1.226 . . . . 0.0 111.468 -173.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -95.14 -67.53 0.85 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.504 1.122 . . . . 0.0 109.254 176.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.42 -165.06 30.82 Favored Glycine 0 CA--C 1.53 1.008 0 C-N-CA 124.496 1.046 . . . . 0.0 111.364 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 16.7 t -39.27 117.14 0.67 Allowed 'General case' 0 C--N 1.342 0.241 0 C-N-CA 127.251 2.221 . . . . 0.0 113.193 -175.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -61.64 -43.58 98.6 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 122.843 0.457 . . . . 0.0 111.8 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 55.2 tptt -76.79 -71.81 0.38 Allowed 'General case' 0 C--N 1.341 0.199 0 CA-C-N 118.155 0.434 . . . . 0.0 110.693 -174.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -45.82 68.58 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.309 -175.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.537 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 119.32 -27.85 6.8 Favored Glycine 0 C--N 1.345 1.075 0 CA-C-N 119.385 0.993 . . . . 0.0 114.391 174.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.2 mttm -74.84 152.0 38.98 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 117.746 0.773 . . . . 0.0 110.537 -174.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -102.38 -175.44 2.83 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.352 -0.84 . . . . 0.0 111.372 -174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 86.19 -37.54 3.11 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 -174.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 10.0 p-80 -116.89 161.72 18.88 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 126.482 1.913 . . . . 0.0 110.616 174.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.94 176.71 5.06 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 125.136 1.374 . . . . 0.0 110.11 174.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.3 tmm? -61.76 -47.41 85.33 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 120.849 -1.157 . . . . 0.0 110.596 -179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 24.7 mtpt -50.06 -50.14 48.93 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.427 1.091 . . . . 0.0 111.313 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 86.3 m-20 -59.81 -56.64 19.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 126.32 1.848 . . . . 0.0 112.002 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 52.3 t -37.88 -82.04 0.01 OUTLIER 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 127.85 2.46 . . . . 0.0 115.736 -174.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.7 p 63.64 33.86 12.83 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 128.261 2.624 . . . . 0.0 112.714 -175.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -74.3 -86.04 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 124.534 1.134 . . . . 0.0 108.69 174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -90.62 54.0 2.58 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 124.699 1.199 . . . . 0.0 109.221 -178.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -144.41 157.79 44.07 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.828 0.851 . . . . 0.0 110.993 -174.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -92.12 60.99 3.88 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 105.677 -1.972 . . . . 0.0 105.677 173.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--O 1.251 1.168 0 C-N-CA 126.223 1.809 . . . . 0.0 109.465 -174.298 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.644 0 C4'-C3'-C2' 99.635 -3.565 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.715 0 O4'-C1'-N19 110.691 3.613 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.477 0 P-O3'-C3' 123.938 3.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.691 1 O4'-C1'-N19 113.161 6.702 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.781 1 O4'-C1'-N19 111.9 5.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 2 O4'-C1'-N19 111.873 5.091 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.474 2 O4'-C1'-N19 112.132 5.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.437 ' C4 ' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.533 2.711 1 P-O3'-C3' 126.863 5.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.107 1 O4'-C1'-N19 112.591 5.989 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.194 0 P-O3'-C3' 124.233 3.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.767 1 O4'-C1'-N19 113.181 6.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.087 0 P-O3'-C3' 123.207 2.923 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.677 1 O4'-C1'-N19 113.144 6.68 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.738 2 P-O3'-C3' 127.696 6.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 111.787 0.292 . . . . 0.0 111.787 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.6 p -135.85 158.45 39.27 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.149 0 C-N-CA 124.552 1.141 . . . . 0.0 110.4 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.9 pttt -120.29 120.45 36.1 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 106.338 -1.727 . . . . 0.0 106.338 173.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 37.4 t -60.82 129.94 43.97 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.237 0.615 . . . . 0.0 110.706 -176.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -75.47 -35.48 60.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.045 0.938 . . . . 0.0 110.294 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 58.0 t-20 -69.94 -21.67 63.26 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 126.351 1.86 . . . . 0.0 112.57 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -150.4 -25.75 0.24 Allowed 'General case' 0 CA--C 1.538 0.495 0 N-CA-C 115.325 1.602 . . . . 0.0 115.325 -174.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.0 -46.64 1.14 Allowed Glycine 0 C--N 1.34 0.771 0 C-N-CA 124.712 1.148 . . . . 0.0 111.378 177.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -57.31 133.83 55.46 Favored 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 123.792 0.837 . . . . 0.0 110.505 -174.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -77.84 -166.87 0.85 Allowed 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 125.675 1.59 . . . . 0.0 112.686 -174.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.84 -2.92 5.73 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 125.675 1.607 . . . . 0.0 114.735 -177.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -154.93 156.93 36.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 119.569 1.684 . . . . 0.0 112.393 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.453 ' H ' ' HG1' ' A' ' 24' ' ' THR . 7.9 p -100.95 175.14 5.71 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.096 0.959 . . . . 0.0 111.159 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -55.67 -46.08 77.63 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.224 0.61 . . . . 0.0 111.82 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.5 ptm180 -54.09 -39.56 66.46 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.551 1.14 . . . . 0.0 112.475 174.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -74.39 -35.18 63.47 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.68 0.792 . . . . 0.0 110.766 -179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.1 t -66.99 112.91 4.6 Favored 'General case' 0 N--CA 1.447 -0.593 0 C-N-CA 122.96 0.504 . . . . 0.0 111.059 -174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.0 ttt85 -81.85 66.61 7.49 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 176.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -140.45 150.85 62.27 Favored Pre-proline 0 CA--C 1.534 0.336 0 C-N-CA 126.352 1.861 . . . . 0.0 107.375 178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -69.58 125.15 11.9 Favored 'Trans proline' 0 N--CA 1.452 -0.948 0 C-N-CA 122.141 1.894 . . . . 0.0 109.541 176.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.68 179.38 6.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.302 0.641 . . . . 0.0 111.506 -174.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.3 tttm -88.79 168.34 12.54 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.607 1.563 . . . . 0.0 110.279 -174.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -89.79 -63.26 1.31 Allowed 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.728 0.811 . . . . 0.0 108.894 174.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -88.18 -169.85 45.43 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.222 0.915 . . . . 0.0 113.753 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -46.81 119.01 2.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 127.838 2.455 . . . . 0.0 111.354 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.6 m0 -61.56 -46.44 89.88 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-O 119.213 -0.422 . . . . 0.0 111.868 176.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -73.17 -75.8 0.14 Allowed 'General case' 0 C--N 1.339 0.137 0 CA-C-N 118.156 0.435 . . . . 0.0 111.365 -174.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -66.1 -28.12 68.58 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 -174.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.48 -39.75 2.77 Favored Glycine 0 C--N 1.342 0.877 0 CA-C-O 119.553 -0.582 . . . . 0.0 112.622 174.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -56.36 153.96 8.97 Favored 'General case' 0 C--N 1.34 0.188 0 C-N-CA 124.294 1.038 . . . . 0.0 111.465 -177.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -109.48 -175.99 2.9 Favored 'General case' 0 C--O 1.232 0.143 0 C-N-CA 123.419 0.688 . . . . 0.0 110.857 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.45 -35.09 3.8 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -174.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 32.2 p-80 -124.51 170.92 10.41 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 175.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -114.55 164.47 13.96 Favored 'General case' 0 C--O 1.224 -0.282 0 C-N-CA 123.952 0.901 . . . . 0.0 110.51 179.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.2 tmm? -50.99 -39.57 55.88 Favored 'General case' 0 CA--C 1.529 0.167 0 C-N-CA 123.906 0.882 . . . . 0.0 111.266 175.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -50.55 -53.09 33.01 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.282 1.433 . . . . 0.0 110.827 174.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -62.88 -56.35 18.06 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 125.939 1.696 . . . . 0.0 111.21 178.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 6.8 t -41.29 149.87 0.1 Allowed 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 128.224 2.61 . . . . 0.0 114.777 -174.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 8.9 t -159.32 35.93 0.2 Allowed 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.883 1.673 . . . . 0.0 109.735 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -58.2 -61.14 2.78 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 125.141 1.376 . . . . 0.0 109.172 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 4.9 tpm_? -81.51 41.1 0.61 Allowed 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.052 0.941 . . . . 0.0 110.943 175.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 47.23 67.4 0.81 Allowed 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 127.258 2.223 . . . . 0.0 112.866 174.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.72 -48.57 46.21 Favored 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 123.168 0.587 . . . . 0.0 109.626 175.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 . . . . . 0 C--O 1.251 1.142 0 CA-C-O 116.402 -1.761 . . . . 0.0 110.95 178.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 111.064 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 0 O4'-C1'-N19 110.964 3.954 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.407 " H1'" " H5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.533 2.709 1 O4'-C1'-N19 111.281 4.352 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . 0.407 " H5'" " H1'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.417 -2.61 0 P-O3'-C3' 123.291 2.993 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.398 1 O4'-C1'-N19 112.405 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.59 2 O4'-C1'-C2' 101.073 -4.57 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.496 3 C4'-C3'-C2' 97.255 -5.945 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.498 ' C2 ' ' H72' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 P--O5' 1.628 3.466 0 O4'-C1'-N19 110.007 2.759 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.498 ' H72' ' C2 ' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.081 3 O4'-C1'-N19 113.598 7.247 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.327 1 O4'-C1'-N19 115.585 9.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.531 1 O4'-C1'-N19 111.102 4.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.758 1 P-O3'-C3' 125.535 4.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.26 2 P-O3'-C3' 125.867 5.139 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.919 2 P-O3'-C3' 126.607 5.756 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 . . . . . 0 N--CA 1.473 0.717 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.4 m -149.29 163.65 4.24 Favored 'Isoleucine or valine' 0 C--N 1.338 0.09 0 C-N-CA 123.73 0.812 . . . . 0.0 111.307 -174.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.73 119.36 22.22 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 127.698 2.399 . . . . 0.0 105.243 173.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.9 t -58.57 124.88 21.15 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 175.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -75.08 -31.33 61.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.744 0.817 . . . . 0.0 109.87 176.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 37.8 t-20 -79.04 -8.64 59.11 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.343 1.857 . . . . 0.0 112.975 -175.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 5.1 p -153.9 -30.14 0.12 Allowed 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 119.711 1.141 . . . . 0.0 113.868 175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 118.67 -47.52 1.02 Allowed Glycine 0 C--N 1.342 0.864 0 C-N-CA 124.75 1.167 . . . . 0.0 111.543 179.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -50.35 135.54 21.71 Favored 'General case' 0 C--N 1.34 0.194 0 C-N-CA 124.411 1.084 . . . . 0.0 112.877 -174.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -81.27 -179.83 7.53 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.139 1.376 . . . . 0.0 111.539 -175.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 84.76 -54.91 4.97 Favored Glycine 0 CA--C 1.527 0.814 0 N-CA-C 110.573 -1.011 . . . . 0.0 110.573 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 38.8 p-80 -101.71 162.67 12.73 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.549 0.74 . . . . 0.0 111.54 178.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.0 p -107.5 173.06 6.49 Favored 'General case' 0 CA--C 1.527 0.094 0 C-N-CA 124.62 1.168 . . . . 0.0 111.148 -178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.95 -42.4 72.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-O 118.801 -0.618 . . . . 0.0 111.491 174.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -62.78 -23.72 67.37 Favored 'General case' 0 C--N 1.343 0.288 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 178.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -80.83 -39.87 25.87 Favored 'General case' 0 CA--C 1.529 0.149 0 C-N-CA 122.871 0.468 . . . . 0.0 110.454 174.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.1 t -68.44 107.59 2.94 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.76 0.824 . . . . 0.0 112.333 -174.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -84.31 74.13 10.37 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 106.748 -1.575 . . . . 0.0 106.748 174.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -135.86 152.24 75.46 Favored Pre-proline 0 CA--C 1.532 0.275 0 C-N-CA 126.316 1.847 . . . . 0.0 108.403 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -62.38 122.0 10.22 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 123.035 2.49 . . . . 0.0 109.665 179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.0 mtm-85 -89.8 -179.5 5.76 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.05 0.94 . . . . 0.0 110.843 -174.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 ttmm -89.49 171.77 9.47 Favored 'General case' 0 N--CA 1.441 -0.884 0 C-N-CA 125.737 1.615 . . . . 0.0 108.65 175.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mtpm? -89.47 -57.66 2.8 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 174.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -91.1 -169.17 42.19 Favored Glycine 0 C--N 1.336 0.551 0 C-N-CA 124.028 0.823 . . . . 0.0 113.023 -174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 39.0 t -47.99 123.8 6.69 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 126.143 1.777 . . . . 0.0 110.364 177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -63.95 -54.78 29.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 111.819 -178.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 43.7 tptt -61.63 -65.51 0.68 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.816 1.246 . . . . 0.0 111.683 -174.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -79.82 -30.52 40.49 Favored 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.708 0.633 . . . . 0.0 112.708 -175.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.2 -44.26 1.53 Allowed Glycine 0 C--N 1.343 0.954 0 CA-C-N 118.268 0.486 . . . . 0.0 112.062 176.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -55.83 135.69 51.76 Favored 'General case' 0 C--N 1.34 0.159 0 C-N-CA 124.751 1.22 . . . . 0.0 111.335 -174.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -91.53 -174.46 3.9 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-O 121.253 0.549 . . . . 0.0 111.908 -178.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.21 4.8 79.81 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-N 115.26 -0.882 . . . . 0.0 112.342 -174.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 24.9 p-80 -163.28 164.75 24.82 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 118.407 1.104 . . . . 0.0 110.539 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -104.04 165.45 11.04 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.934 0.894 . . . . 0.0 111.889 -175.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.0 tmm? -55.19 -44.16 75.04 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 124.138 0.975 . . . . 0.0 111.22 176.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.4 mttp -50.88 -62.63 1.49 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 125.525 1.53 . . . . 0.0 110.959 173.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 81.7 m-20 -47.94 -56.75 6.86 Favored 'General case' 0 C--N 1.339 0.112 0 C-N-CA 126.661 1.984 . . . . 0.0 111.918 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.518 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.7 t -50.7 144.93 7.47 Favored 'General case' 0 N--CA 1.448 -0.54 0 C-N-CA 127.623 2.369 . . . . 0.0 116.776 -174.165 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.6 t -116.14 -16.71 10.98 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.35 2.26 . . . . 0.0 111.515 176.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -48.08 -81.14 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.545 1.538 . . . . 0.0 112.354 -174.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -105.68 41.94 1.31 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.733 1.613 . . . . 0.0 109.519 -176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -67.37 95.27 0.43 Allowed 'General case' 0 N--CA 1.432 -1.344 0 C-N-CA 126.328 1.851 . . . . 0.0 110.596 -174.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -157.8 55.47 0.48 Allowed 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 124.86 1.264 . . . . 0.0 108.32 175.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.25 1.105 0 CA-C-O 116.332 -1.794 . . . . 0.0 109.291 -174.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.46 " H1'" ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.738 1 O4'-C1'-N19 113.168 6.71 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.839 ' O4 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.537 3.292 1 O4'-C1'-N19 112.138 5.423 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.427 " H1'" " H5'" ' B' ' 104' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.029 0 O4'-C1'-N19 110.503 3.379 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . 0.427 " H5'" " H1'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 P--O5' 1.623 2.991 0 P-O3'-C3' 123.418 3.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 1 O4'-C1'-N19 114.334 8.167 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.245 1 P-O3'-C3' 124.993 4.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.772 0 O4'-C1'-N19 110.971 3.964 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.602 1 P-O3'-C3' 126.482 5.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.084 2 O4'-C1'-N19 113.518 7.148 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.495 2 O4'-C1'-N19 115.889 10.111 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.921 1 O4'-C1'-N19 115.624 9.78 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.24 0 P-O3'-C3' 123.728 3.357 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.829 1 O4'-C1'-N19 111.262 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . 0.839 ' O2 ' ' O4 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.625 1 O4'-C1'-N19 111.555 4.693 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.477 0.904 0 CA-C-O 119.898 -0.096 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.5 m -144.08 168.34 11.13 Favored 'Isoleucine or valine' 0 C--N 1.341 0.234 0 N-CA-C 113.337 0.866 . . . . 0.0 113.337 -174.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . 0.259 0.1 OUTLIER -138.45 107.48 6.02 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 129.316 3.046 . . . . 0.0 106.942 173.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.3 t -44.45 120.89 2.37 Favored 'General case' 0 N--CA 1.447 -0.584 0 C-N-CA 125.487 1.515 . . . . 0.0 112.087 -174.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -71.04 -23.51 62.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.015 0.926 . . . . 0.0 110.725 -178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -89.07 -13.08 39.45 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 126.678 1.991 . . . . 0.0 112.65 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -153.45 -29.12 0.13 Allowed 'General case' 0 C--N 1.35 0.61 0 N-CA-C 114.879 1.437 . . . . 0.0 114.879 -177.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.76 -38.94 3.05 Favored Glycine 0 C--N 1.341 0.824 0 C-N-CA 124.973 1.273 . . . . 0.0 112.6 175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -58.12 138.54 56.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 117.963 0.881 . . . . 0.0 111.243 -176.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -77.7 -165.96 0.7 Allowed 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.816 0.817 . . . . 0.0 111.405 -176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.5 -52.61 3.12 Favored Glycine 0 CA--C 1.529 0.935 0 C-N-CA 124.919 1.247 . . . . 0.0 112.052 -175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -112.89 165.44 12.32 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 125.355 1.462 . . . . 0.0 113.694 -174.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.9 p -103.94 169.6 8.41 Favored 'General case' 0 C--N 1.341 0.225 0 C-N-CA 125.95 1.7 . . . . 0.0 110.491 178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -45.64 -51.13 12.67 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.611 0.764 . . . . 0.0 111.927 175.255 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -60.36 -36.16 77.38 Favored 'General case' 0 CA--C 1.532 0.272 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -174.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -69.07 -47.92 64.05 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 122.667 0.387 . . . . 0.0 111.457 174.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 7.7 t -32.69 -57.91 0.35 Allowed 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 -173.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . 0.265 68.5 ttt-85 62.62 60.32 1.35 Allowed 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 124.873 1.269 . . . . 0.0 110.263 -173.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -128.19 153.4 78.72 Favored Pre-proline 0 CA--C 1.534 0.349 0 C-N-CA 127.483 2.313 . . . . 0.0 105.678 174.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -63.59 126.75 18.2 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 122.216 1.944 . . . . 0.0 110.893 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.89 158.35 18.12 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 123.132 0.573 . . . . 0.0 109.75 -175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.4 mmtt -89.81 -176.8 5.07 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.117 0.967 . . . . 0.0 109.829 -174.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -89.99 -64.52 1.13 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 177.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -96.41 -169.07 34.35 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 123.701 0.667 . . . . 0.0 112.717 -174.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.5 t -46.58 121.15 3.3 Favored 'General case' 0 C--N 1.34 0.156 0 C-N-CA 126.868 2.067 . . . . 0.0 111.351 -178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 6.8 m0 -56.78 -55.24 36.8 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 118.233 0.469 . . . . 0.0 111.949 -175.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -75.56 -69.4 0.49 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.375 0.67 . . . . 0.0 111.211 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -31.73 71.93 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.627 0.771 . . . . 0.0 113.028 -176.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.83 -43.68 1.66 Allowed Glycine 0 C--N 1.341 0.838 0 C-N-CA 123.877 0.751 . . . . 0.0 111.685 174.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -60.27 127.93 34.23 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.756 1.223 . . . . 0.0 110.976 -174.692 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.1 -174.97 5.35 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 124.352 1.061 . . . . 0.0 112.608 -176.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.47 3.35 90.02 Favored Glycine 0 CA--C 1.534 1.24 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.339 -174.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 28.9 p-80 -165.5 170.44 14.39 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.084 1.353 . . . . 0.0 109.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.0 mm-40 -110.64 165.96 11.4 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 123.962 0.905 . . . . 0.0 112.537 -176.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 16.6 tmm? -55.34 -45.93 76.39 Favored 'General case' 0 C--O 1.227 -0.09 0 C-N-CA 124.149 0.98 . . . . 0.0 111.174 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -51.4 -62.93 1.32 Allowed 'General case' 0 N--CA 1.434 -1.227 0 C-N-CA 126.977 2.111 . . . . 0.0 111.029 174.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 77.5 m-20 -44.79 -58.43 3.1 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 126.405 1.882 . . . . 0.0 112.247 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.515 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 38.0 t -51.07 152.75 2.14 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 128.388 2.675 . . . . 0.0 115.695 -174.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.2 p -127.72 -13.53 5.28 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 126.802 2.041 . . . . 0.0 110.784 174.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -48.89 -69.95 0.1 Allowed 'General case' 0 C--N 1.344 0.349 0 C-N-CA 125.939 1.696 . . . . 0.0 111.533 -175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -147.63 90.61 1.87 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.839 1.256 . . . . 0.0 109.238 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -97.22 173.0 7.45 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 124.706 1.202 . . . . 0.0 108.562 174.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.58 -45.1 66.02 Favored 'General case' 0 CA--C 1.53 0.196 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 C--O 1.253 1.251 0 CA-C-O 117.124 -1.417 . . . . 0.0 108.307 176.202 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.422 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.821 1 O4'-C1'-N19 113.001 6.501 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.508 ' H71' ' N3 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.538 3.321 1 O4'-C1'-N19 111.67 4.838 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.083 0 P-O3'-C3' 123.782 3.402 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.575 1 O4'-C1'-N19 111.512 4.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.589 1 O4'-C1'-N19 112.801 6.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.158 2 O4'-C1'-N19 111.902 5.128 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.511 " O4'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.435 1 O4'-C1'-N19 111.5 4.625 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.511 ' H72' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 P--O5' 1.621 2.781 2 P-O3'-C3' 126.523 5.686 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.163 0 C4'-C3'-C2' 99.223 -3.977 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.404 2 O4'-C1'-N19 113.535 7.169 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.908 1 O4'-C1'-N19 117.337 11.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.907 0 P-O3'-C3' 123.64 3.283 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.618 1 O4'-C1'-N19 111.022 4.028 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . 0.508 ' N3 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.417 -2.604 1 O4'-C1'-N19 111.292 4.365 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.1 m120 . . . . . 0 N--CA 1.477 0.923 0 CA-C-O 119.888 -0.101 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 8.0 p -160.01 157.23 2.98 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 123.53 0.732 . . . . 0.0 109.904 -174.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.44 129.66 55.98 Favored 'General case' 0 CA--C 1.521 -0.153 0 C-N-CA 125.907 1.683 . . . . 0.0 108.066 173.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -66.92 137.02 56.24 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 19.9 m-85 -87.63 -36.21 17.61 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.662 1.185 . . . . 0.0 109.497 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -20.2 66.32 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.2 2.2 . . . . 0.0 112.46 178.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 p -147.85 -35.11 0.23 Allowed 'General case' 0 C--N 1.349 0.544 0 CA-C-N 119.873 1.215 . . . . 0.0 113.96 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.25 -49.82 0.85 Allowed Glycine 0 C--N 1.343 0.943 0 C-N-CA 124.267 0.937 . . . . 0.0 111.296 -175.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -50.23 136.2 20.1 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.271 1.028 . . . . 0.0 111.881 -174.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 mp0 -79.43 -163.73 0.55 Allowed 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 124.64 1.176 . . . . 0.0 110.371 -174.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.28 -57.7 3.25 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.85 1.214 . . . . 0.0 111.092 -174.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.4 p-80 -108.08 173.67 6.22 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 126.292 1.837 . . . . 0.0 112.529 -174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.9 p -115.3 168.87 9.58 Favored 'General case' 0 C--N 1.341 0.206 0 C-N-CA 125.98 1.712 . . . . 0.0 110.91 -178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.97 -46.74 52.71 Favored 'General case' 0 C--N 1.341 0.202 0 C-N-CA 123.871 0.868 . . . . 0.0 112.355 176.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -54.24 -36.63 63.75 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.237 1.015 . . . . 0.0 112.765 178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -77.26 -42.54 36.76 Favored 'General case' 0 C--N 1.34 0.16 0 C-N-CA 122.798 0.439 . . . . 0.0 111.923 174.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.7 t -54.54 103.82 0.1 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 114.499 1.296 . . . . 0.0 114.499 -173.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -85.87 68.19 10.27 Favored 'General case' 0 N--CA 1.444 -0.757 0 C-N-CA 123.974 0.909 . . . . 0.0 109.773 174.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.49 163.5 33.8 Favored Pre-proline 0 CA--C 1.533 0.318 0 C-N-CA 126.128 1.771 . . . . 0.0 108.211 174.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -57.95 151.24 58.75 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 123.439 2.759 . . . . 0.0 112.614 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.98 -177.57 4.95 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 125.073 1.349 . . . . 0.0 110.326 174.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 mttm -89.36 -176.88 5.21 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.076 0.95 . . . . 0.0 109.44 -177.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -106.27 -53.34 2.65 Favored 'General case' 0 CA--C 1.528 0.125 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 174.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.36 -166.54 42.44 Favored Glycine 0 CA--C 1.532 1.128 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 174.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.467 ' HB3' ' H ' ' A' ' 40' ' ' GLY . 44.8 t -44.05 125.11 4.21 Favored 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 127.145 2.178 . . . . 0.0 114.433 -174.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 18.5 m0 -62.85 -39.95 95.95 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 112.241 0.459 . . . . 0.0 112.241 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.9 mtpm? -70.08 -79.61 0.06 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 123.272 0.629 . . . . 0.0 110.435 -177.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB3' ' CD ' ' A' ' 51' ' ' GLU . 0.8 OUTLIER -78.23 -37.47 45.24 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 117.578 -1.201 . . . . 0.0 113.047 -174.351 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.467 ' H ' ' HB3' ' A' ' 36' ' ' CYS . . . 104.34 -5.25 44.77 Favored Glycine 0 C--N 1.351 1.393 0 CA-C-N 120.349 1.431 . . . . 0.0 113.656 174.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmtm -78.2 145.36 35.61 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 107.364 -1.347 . . . . 0.0 107.364 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -100.24 -174.76 2.75 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.696 -174.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 68.73 10.08 60.3 Favored Glycine 0 CA--C 1.535 1.291 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 -173.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 7.6 p-80 -159.32 148.84 18.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 C-N-CA 125.037 1.335 . . . . 0.0 110.359 175.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -91.42 171.52 9.15 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.43 1.092 . . . . 0.0 109.334 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 tmm? -56.69 -42.23 78.74 Favored 'General case' 0 CA--C 1.53 0.197 0 O-C-N 120.954 -1.091 . . . . 0.0 111.799 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -58.95 -51.87 68.21 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 123.195 0.598 . . . . 0.0 110.485 174.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -58.24 -41.53 84.39 Favored 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.52 1.928 . . . . 0.0 112.843 -177.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.613 ' SG ' ' HG3' ' A' ' 51' ' ' GLU . 29.7 t -36.13 148.29 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 129.353 3.061 . . . . 0.0 114.982 -174.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 26.3 p -147.25 12.27 1.06 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.881 1.272 . . . . 0.0 113.88 -174.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.613 ' HG3' ' SG ' ' A' ' 49' ' ' CYS . 7.9 mt-10 -11.18 -75.58 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 128.65 2.78 . . . . 0.0 114.478 -174.098 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -140.77 45.8 1.79 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 126.701 2.0 . . . . 0.0 106.898 174.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -113.47 153.28 28.93 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.101 1.36 . . . . 0.0 109.896 -174.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -82.61 62.68 6.37 Favored 'General case' 0 CA--C 1.532 0.25 0 N-CA-C 108.875 -0.787 . . . . 0.0 108.875 174.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.8 m-20 . . . . . 0 C--O 1.252 1.184 0 CA-C-O 116.977 -1.487 . . . . 0.0 108.447 -175.036 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.102 0 O4'-C1'-N19 110.61 3.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.561 1 O4'-C1'-N19 111.595 4.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.718 0 P-O3'-C3' 123.514 3.178 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.703 0 O4'-C1'-N19 110.559 3.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.238 1 O4'-C1'-N19 111.99 5.237 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.67 2 P-O3'-C3' 125.098 4.498 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.551 " H4'" ' H73' ' B' ' 108' ' ' ' DT' . . . . . . . . 2 O4'--C4' 1.389 -5.227 3 C3'-C2'-C1' 95.551 -5.106 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.551 ' H73' " H4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.947 2 P-O3'-C3' 127.351 6.375 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.831 3.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.93 2 O4'-C1'-N19 113.727 7.409 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.714 1 O4'-C1'-N19 112.867 6.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.739 0 P-O3'-C3' 124.097 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.576 1 O4'-C1'-N19 112.1 5.374 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.782 1 O4'-C1'-N19 111.678 4.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 69.8 m-20 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 110.927 -0.027 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.8 p -161.6 159.38 1.77 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 124.55 1.14 . . . . 0.0 108.589 -177.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.0 ptpt -114.67 129.26 56.66 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.903 1.281 . . . . 0.0 108.385 174.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.422 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 42.1 t -66.61 131.58 46.31 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 174.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -85.08 -32.0 23.06 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.902 0.881 . . . . 0.0 109.868 178.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.527 HD22 ' HB3' ' A' ' 28' ' ' CYS . 49.9 t-20 -63.89 -27.79 69.4 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.249 1.819 . . . . 0.0 112.699 177.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.0 p -149.4 -15.32 0.29 Allowed 'General case' 0 C--N 1.347 0.491 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.65 -40.38 2.45 Favored Glycine 0 C--N 1.341 0.806 0 CA-C-N 119.696 1.134 . . . . 0.0 111.912 178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -53.15 131.83 37.45 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.989 0.916 . . . . 0.0 112.137 -174.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.21 170.21 16.98 Favored 'General case' 0 N--CA 1.445 -0.715 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.654 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 97.94 -48.62 1.45 Allowed Glycine 0 CA--C 1.526 0.728 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.887 -178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 44.1 p-80 -115.33 161.13 18.94 Favored 'General case' 0 C--N 1.343 0.31 0 C-N-CA 124.518 1.127 . . . . 0.0 111.933 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.6 p -96.61 170.86 8.91 Favored 'General case' 0 N--CA 1.461 0.106 0 C-N-CA 125.42 1.488 . . . . 0.0 111.167 178.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -53.5 -49.43 67.55 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 119.225 -0.417 . . . . 0.0 110.703 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -56.07 -39.12 71.6 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.3 t30 -65.33 -49.7 68.44 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.768 0.318 . . . . 0.0 110.168 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.527 ' HB3' HD22 ' A' ' 17' ' ' ASN . 19.5 t -58.85 112.8 1.78 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.015 1.326 . . . . 0.0 112.37 -174.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.3 mtm180 -93.79 67.59 3.83 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 174.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -125.54 159.18 61.77 Favored Pre-proline 0 CA--C 1.53 0.202 0 C-N-CA 126.041 1.736 . . . . 0.0 107.668 174.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.61 121.86 10.54 Favored 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 122.972 2.448 . . . . 0.0 111.044 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.45 165.99 13.98 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 124.045 0.938 . . . . 0.0 109.957 178.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.9 mttm -89.54 -173.23 3.89 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.309 0.644 . . . . 0.0 110.235 -174.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -89.11 -52.97 4.79 Favored 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 107.658 -1.238 . . . . 0.0 107.658 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -115.62 -166.03 14.69 Favored Glycine 0 N--CA 1.446 -0.684 0 C-N-CA 125.106 1.336 . . . . 0.0 111.628 -175.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.5 t -23.2 110.03 0.03 OUTLIER 'General case' 0 C--N 1.338 0.099 0 C-N-CA 128.698 2.799 . . . . 0.0 113.551 175.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 12.1 m0 -57.89 -41.96 83.67 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 112.038 0.385 . . . . 0.0 112.038 179.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -73.67 -76.12 0.13 Allowed 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 122.804 0.442 . . . . 0.0 111.242 -176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.2 -23.11 62.89 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -174.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.61 -34.57 5.35 Favored Glycine 0 C--N 1.342 0.898 0 CA-C-N 119.107 0.867 . . . . 0.0 112.971 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -51.73 154.82 1.86 Allowed 'General case' 0 C--N 1.341 0.197 0 C-N-CA 124.796 1.238 . . . . 0.0 111.046 178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -114.03 -179.36 3.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.31 0.576 . . . . 0.0 111.202 175.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 82.46 -0.14 89.39 Favored Glycine 0 CA--C 1.537 1.426 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.509 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 16.9 p-80 -159.61 160.11 33.97 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.159 1.384 . . . . 0.0 109.914 176.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -103.27 170.78 7.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 123.751 0.82 . . . . 0.0 111.614 179.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -55.6 -47.34 76.67 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.215 1.006 . . . . 0.0 110.867 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -49.34 -52.33 28.76 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.191 1.396 . . . . 0.0 111.303 174.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -59.26 -56.46 21.8 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 125.14 1.376 . . . . 0.0 111.239 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.509 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 42.4 t -47.23 139.29 6.3 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 126.953 2.101 . . . . 0.0 116.241 -174.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.0 t -138.95 17.61 2.64 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 112.798 -2.001 . . . . 0.0 110.727 174.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -54.75 -80.76 0.02 OUTLIER 'General case' 0 C--N 1.344 0.351 0 C-N-CA 124.827 1.251 . . . . 0.0 111.239 175.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -131.54 81.6 1.99 Allowed 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 125.983 1.713 . . . . 0.0 108.066 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -72.76 75.43 1.13 Allowed 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.832 1.253 . . . . 0.0 111.384 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.74 60.61 4.1 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 124.176 0.99 . . . . 0.0 110.62 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 . . . . . 0 C--O 1.25 1.107 0 C-N-CA 126.202 1.801 . . . . 0.0 111.982 177.869 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.988 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.412 -3.056 2 O4'-C1'-N19 113.099 6.624 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.988 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.742 0 O4'-C1'-N19 110.7 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.66 0 P-O3'-C3' 123.286 2.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.624 1 O4'-C1'-N19 111.414 4.517 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.303 1 O4'-C1'-N19 112.747 6.184 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.336 2 O4'-C1'-N19 112.533 5.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.324 0 C2'-C3'-O3' 119.058 3.133 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.44 1 P-O3'-C3' 127.085 6.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 2 O4'-C1'-N19 111.939 5.173 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.931 2 O4'-C1'-N19 116.879 11.349 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.104 1 O4'-C1'-N19 113.153 6.691 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.537 1 P-O3'-C3' 125.161 4.551 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.903 1 O4'-C1'-N19 112.148 5.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.593 1 O4'-C1'-N19 111.354 4.443 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 22.5 p-10 . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 111.266 0.099 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.7 p -164.55 163.19 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 C-N-CA 123.65 0.78 . . . . 0.0 109.733 -174.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.3 pttp -118.67 127.5 53.63 Favored 'General case' 0 C--N 1.341 0.198 0 C-N-CA 125.033 1.333 . . . . 0.0 107.932 174.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 41.7 t -65.0 128.86 37.52 Favored 'General case' 0 N--CA 1.448 -0.525 0 C-N-CA 122.667 0.387 . . . . 0.0 110.25 177.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -80.46 -31.29 37.42 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.16 0.984 . . . . 0.0 110.071 178.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -78.03 -8.74 58.59 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.06 1.744 . . . . 0.0 113.033 -178.502 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.7 p -152.66 -31.76 0.14 Allowed 'General case' 0 C--N 1.346 0.444 0 CA-C-N 120.036 1.289 . . . . 0.0 114.113 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.92 -48.04 0.98 Allowed Glycine 0 C--N 1.342 0.862 0 C-N-CA 124.466 1.032 . . . . 0.0 110.68 -177.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -50.15 129.5 21.17 Favored 'General case' 0 C--N 1.341 0.208 0 C-N-CA 124.171 0.988 . . . . 0.0 111.225 -176.041 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.8 mp0 -77.31 -166.5 0.74 Allowed 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 124.705 1.202 . . . . 0.0 111.552 -174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.95 -53.34 3.73 Favored Glycine 0 CA--C 1.53 1.015 0 CA-C-N 114.272 -1.331 . . . . 0.0 111.062 -174.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -111.94 165.71 11.85 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 126.106 1.763 . . . . 0.0 113.228 -174.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -100.97 171.61 7.53 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 125.799 1.639 . . . . 0.0 111.499 -178.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.53 -53.92 32.76 Favored 'General case' 0 C--N 1.342 0.271 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 174.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -49.59 -43.83 46.56 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.295 0.85 . . . . 0.0 113.295 -178.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -62.87 -48.01 80.87 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 118.118 0.417 . . . . 0.0 111.08 174.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 4.4 t -55.73 107.9 0.39 Allowed 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 125.103 1.361 . . . . 0.0 113.868 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.9 ttm-85 -82.08 76.34 8.97 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 174.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.75 157.76 43.66 Favored Pre-proline 0 CA--C 1.532 0.269 0 C-N-CA 123.543 0.737 . . . . 0.0 110.92 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -62.32 137.19 64.09 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.942 3.095 . . . . 0.0 110.989 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.466 ' HG2' ' H72' ' B' ' 109' ' ' ' DT' . 0.0 OUTLIER -100.24 -178.16 3.74 Favored 'General case' 0 CA--C 1.53 0.173 0 C-N-CA 123.984 0.914 . . . . 0.0 112.236 -176.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.25 3.3 tppp? -89.67 175.85 7.09 Favored 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 127.862 2.465 . . . . 0.0 107.617 -174.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 mtpp -88.59 -60.38 1.97 Allowed 'General case' 0 N--CA 1.458 -0.073 0 N-CA-C 106.636 -1.616 . . . . 0.0 106.636 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -106.78 -152.27 18.92 Favored Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 124.124 0.869 . . . . 0.0 111.954 -176.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -45.98 122.82 4.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 127.047 2.139 . . . . 0.0 112.131 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -58.98 -44.43 91.56 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 112.572 0.582 . . . . 0.0 112.572 178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.3 mttm -73.57 -75.07 0.16 Allowed 'General case' 0 CA--C 1.532 0.269 0 CA-C-N 118.6 0.636 . . . . 0.0 111.546 -178.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.73 -31.26 70.19 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.328 1.232 . . . . 0.0 114.328 -174.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 109.14 -44.65 1.45 Allowed Glycine 0 C--N 1.341 0.858 0 C-N-CA 123.737 0.684 . . . . 0.0 111.883 177.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -59.02 136.26 57.89 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.766 1.226 . . . . 0.0 112.139 -174.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -89.35 -171.94 3.43 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.806 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 77.68 2.06 79.6 Favored Glycine 0 CA--C 1.535 1.308 0 CA-C-N 115.355 -0.838 . . . . 0.0 111.757 -174.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -162.46 165.61 26.02 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.978 1.311 . . . . 0.0 109.547 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -104.19 167.31 9.84 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 123.421 0.688 . . . . 0.0 111.435 -178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.6 tmm? -52.05 -44.91 64.48 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.319 1.047 . . . . 0.0 111.478 176.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -52.94 -64.5 0.8 Allowed 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 126.872 2.069 . . . . 0.0 109.807 174.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -46.97 -44.47 20.14 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 128.058 2.543 . . . . 0.0 113.084 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.7 t -48.04 154.99 0.49 Allowed 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 127.534 2.334 . . . . 0.0 114.434 -174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -150.93 37.48 0.64 Allowed 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.665 1.586 . . . . 0.0 109.816 175.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -100.44 -95.73 0.26 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 125.786 1.635 . . . . 0.0 109.021 -175.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 46.8 mtm180 -84.92 65.82 9.4 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.395 1.478 . . . . 0.0 108.66 178.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -67.96 91.1 0.33 Allowed 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.376 1.47 . . . . 0.0 110.179 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -153.26 135.52 14.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.567 1.147 . . . . 0.0 108.741 177.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.6 p30 . . . . . 0 C--O 1.249 1.06 0 C-N-CA 126.514 1.925 . . . . 0.0 112.769 -176.787 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 1.228 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.933 2 O4'-C1'-N19 113.267 6.833 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 1.228 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.532 2.579 0 O4'-C1'-N19 110.715 3.643 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.58 0 P-O3'-C3' 123.284 2.987 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.561 0 P-O3'-C3' 123.534 3.195 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.342 1 O4'-C1'-N19 112.015 5.269 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.975 2 O4'-C1'-N19 112.063 5.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.183 1 O4'-C1'-N19 111.907 5.133 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.734 1 P-O3'-C3' 126.564 5.72 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.466 ' H72' ' HG2' ' A' ' 32' ' ' ARG . . . . . . . . 0 C5'--C4' 1.534 2.931 1 P-O3'-C3' 125.223 4.603 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.201 1 O4'-C1'-N19 118.152 12.939 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.718 1 O4'-C1'-N19 116.808 11.26 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.615 0 P-O3'-C3' 123.945 3.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.985 1 O4'-C1'-N19 113.942 7.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.884 0 O4'-C1'-N19 109.805 2.507 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 . . . . . 0 N--CA 1.478 0.93 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 m -144.04 166.34 13.17 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.162 0 C-N-CA 125.063 1.345 . . . . 0.0 110.524 -176.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.1 pttt -131.98 107.77 8.91 Favored 'General case' 0 N--CA 1.451 -0.405 0 N-CA-C 103.202 -2.888 . . . . 0.0 103.202 173.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 44.4 t -43.09 117.61 1.11 Allowed 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.636 1.175 . . . . 0.0 112.627 -174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -61.27 -28.6 69.3 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.059 1.343 . . . . 0.0 110.538 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.449 HD22 ' HB3' ' A' ' 28' ' ' CYS . 3.0 t30 -78.29 -31.45 48.94 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.481 2.712 . . . . 0.0 113.689 -175.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 3.6 p -147.35 -23.64 0.39 Allowed 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 115.16 1.541 . . . . 0.0 115.16 -173.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.73 -44.36 1.49 Allowed Glycine 0 CA--C 1.528 0.874 0 C-N-CA 125.195 1.378 . . . . 0.0 111.912 174.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -56.95 136.38 56.07 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.399 1.079 . . . . 0.0 111.337 -174.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -74.81 -161.26 0.13 Allowed 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 123.764 0.826 . . . . 0.0 111.103 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.2 -52.25 3.69 Favored Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.97 1.272 . . . . 0.0 112.106 -178.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -116.17 167.18 11.23 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.383 1.473 . . . . 0.0 112.959 -174.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.0 p -110.94 173.84 6.15 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 125.732 1.613 . . . . 0.0 109.86 176.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.85 81.37 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -174.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.09 -33.77 71.21 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 118.527 0.603 . . . . 0.0 112.408 179.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -72.33 -44.85 62.06 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 174.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.449 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.8 t -66.66 108.62 2.53 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.24 1.016 . . . . 0.0 111.973 -175.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -81.78 65.32 6.86 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 108.658 -0.868 . . . . 0.0 108.658 174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -130.95 154.13 81.92 Favored Pre-proline 0 CA--C 1.532 0.267 0 C-N-CA 125.811 1.644 . . . . 0.0 107.808 177.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -66.24 135.51 40.32 Favored 'Trans proline' 0 N--CA 1.451 -1.01 0 C-N-CA 122.418 2.078 . . . . 0.0 109.805 176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -89.8 -170.86 2.96 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 123.864 0.866 . . . . 0.0 110.462 -179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -89.62 -171.86 3.36 Favored 'General case' 0 N--CA 1.448 -0.536 0 C-N-CA 124.283 1.033 . . . . 0.0 109.207 175.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -89.56 -66.1 0.95 Allowed 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 108.617 -0.882 . . . . 0.0 108.617 -176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -110.91 -153.92 13.26 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 -176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 43.4 t -42.06 123.8 2.51 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 126.376 1.871 . . . . 0.0 112.56 -178.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 14.2 m0 -63.54 -39.68 95.04 Favored 'General case' 0 CA--C 1.532 0.253 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -68.15 -75.59 0.1 Allowed 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.322 0.51 . . . . 0.0 111.05 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.3 p -77.75 -29.04 50.87 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -174.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 111.15 -43.98 1.6 Allowed Glycine 0 CA--C 1.53 0.996 0 CA-C-N 118.874 0.761 . . . . 0.0 112.353 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -59.64 138.19 57.81 Favored 'General case' 0 C--N 1.34 0.176 0 C-N-CA 123.982 0.913 . . . . 0.0 111.703 -174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.54 -173.89 3.51 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.123 0.969 . . . . 0.0 111.538 -176.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 76.61 4.99 82.37 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 115.257 -0.883 . . . . 0.0 111.628 -174.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 41.2 p-80 -160.07 152.37 20.76 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.481 1.112 . . . . 0.0 109.57 176.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -89.2 165.51 14.4 Favored 'General case' 0 C--O 1.225 -0.211 0 C-N-CA 123.199 0.6 . . . . 0.0 110.525 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 51.0 ttp -53.93 -37.78 64.21 Favored 'General case' 0 CA--C 1.533 0.318 0 O-C-N 121.821 -0.549 . . . . 0.0 110.959 174.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.7 mttm -56.43 -54.63 43.42 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 123.871 0.868 . . . . 0.0 111.044 174.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -58.35 -60.56 3.58 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 125.477 1.511 . . . . 0.0 111.417 -177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 50.5 t -15.27 -100.16 0.0 OUTLIER 'General case' 0 C--N 1.339 0.149 0 C-N-CA 129.742 3.217 . . . . 0.0 114.968 -174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.5 p 54.46 28.73 10.01 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 127.118 2.167 . . . . 0.0 110.752 -174.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -48.25 -82.88 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 127.936 2.494 . . . . 0.0 111.412 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -89.59 54.28 2.84 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.452 0.701 . . . . 0.0 109.144 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 mt-30 -142.0 -42.88 0.34 Allowed 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 124.877 1.271 . . . . 0.0 110.273 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 66.18 76.7 0.3 Allowed 'General case' 0 C--N 1.34 0.195 0 C-N-CA 125.63 1.572 . . . . 0.0 108.725 -174.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.1 m120 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 126.048 1.739 . . . . 0.0 110.897 -174.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.507 ' C4 ' ' H72' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.415 -2.789 0 C4'-C3'-C2' 99.704 -3.496 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.507 ' H72' ' C4 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.061 1 O4'-C1'-N19 111.717 4.896 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.864 1 O4'-C1'-N19 111.338 4.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.755 0 P-O3'-C3' 123.463 3.136 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.203 1 O4'-C1'-N19 114.064 7.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.951 2 O4'-C1'-C2' 101.135 -4.513 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.875 1 O4'-C1'-N19 112.475 5.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.582 1 P-O3'-C3' 125.417 4.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.845 2 O4'-C1'-N19 112.476 5.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.304 1 O4'-C1'-N19 113.839 7.549 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 116.361 10.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . 0.427 " H1'" " H5'" ' B' ' 113' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.412 -3.111 1 C4'-C3'-C2' 98.816 -4.384 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . 0.427 " H5'" " H1'" ' B' ' 112' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.015 1 O4'-C1'-N19 112.023 5.279 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.661 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -140.06 169.05 16.72 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.173 0 C-N-CA 125.545 1.538 . . . . 0.0 110.101 -177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 105.98 4.83 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 173.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.8 t -45.29 120.55 2.52 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.459 1.504 . . . . 0.0 112.611 -174.587 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.49 -33.34 75.66 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 124.056 0.943 . . . . 0.0 110.561 177.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -79.74 -5.52 55.43 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.067 1.747 . . . . 0.0 113.145 -176.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -156.39 -41.86 0.07 Allowed 'General case' 0 C--N 1.35 0.603 0 CA-C-N 120.581 1.537 . . . . 0.0 113.796 174.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 129.82 -41.98 1.47 Allowed Glycine 0 CA--C 1.527 0.796 0 C-N-CA 125.054 1.311 . . . . 0.0 111.528 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -58.81 142.11 51.23 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.114 0.966 . . . . 0.0 112.188 -174.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -81.12 -163.16 0.57 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 123.805 0.842 . . . . 0.0 111.29 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.56 -56.25 3.77 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 125.392 1.472 . . . . 0.0 110.599 -174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 52.4 p-80 -108.42 175.25 5.54 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 125.179 1.391 . . . . 0.0 112.682 -174.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.4 p -124.52 176.55 6.44 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 125.555 1.542 . . . . 0.0 109.365 178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -49.1 -40.25 31.29 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.317 1.047 . . . . 0.0 113.443 -175.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HB3' ' H71' ' B' ' 109' ' ' ' DT' . 0.4 OUTLIER -59.78 -48.18 82.7 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.756 0.822 . . . . 0.0 112.751 178.757 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.513 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 6.6 t30 -61.76 -42.07 98.51 Favored 'General case' 0 C--N 1.338 0.075 0 C-N-CA 122.606 0.363 . . . . 0.0 110.24 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.6 t -60.67 111.93 1.81 Allowed 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 124.208 1.003 . . . . 0.0 112.409 -174.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -80.83 70.27 7.57 Favored 'General case' 0 N--CA 1.45 -0.439 0 C-N-CA 124.136 0.975 . . . . 0.0 108.518 174.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -144.83 151.41 49.4 Favored Pre-proline 0 CA--C 1.531 0.241 0 C-N-CA 125.307 1.443 . . . . 0.0 108.651 -178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -67.66 122.52 9.71 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.771 2.314 . . . . 0.0 110.085 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -89.69 175.94 7.05 Favored 'General case' 0 CA--C 1.531 0.236 0 C-N-CA 124.068 0.947 . . . . 0.0 111.271 -175.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -89.68 165.09 14.42 Favored 'General case' 0 N--CA 1.445 -0.709 0 C-N-CA 125.244 1.418 . . . . 0.0 112.541 -174.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -92.97 -56.05 3.13 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.139 1.375 . . . . 0.0 108.545 174.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.91 -165.63 38.3 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 124.39 0.995 . . . . 0.0 112.864 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 18.6 t -62.41 127.47 31.5 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 124.991 1.316 . . . . 0.0 112.643 -174.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.7 m0 -66.12 -57.22 8.17 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 174.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -57.7 -73.89 0.07 Allowed 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 125.252 1.421 . . . . 0.0 110.943 -174.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -72.4 -32.04 66.05 Favored 'General case' 0 N--CA 1.435 -1.18 0 C-N-CA 123.662 0.785 . . . . 0.0 112.631 -174.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 110.82 -46.32 1.19 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 111.592 -0.603 . . . . 0.0 111.592 176.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.3 mtpt -58.6 138.31 56.96 Favored 'General case' 0 C--O 1.226 -0.153 0 C-N-CA 125.149 1.38 . . . . 0.0 113.129 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.92 -174.39 4.01 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.091 0.956 . . . . 0.0 111.675 -178.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 80.36 0.69 87.27 Favored Glycine 0 CA--C 1.532 1.154 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.382 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.52 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 31.7 p-80 -162.69 173.06 14.36 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.655 1.582 . . . . 0.0 109.008 178.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -120.21 171.04 8.78 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 118.476 0.58 . . . . 0.0 111.621 -175.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.5 tmm? -60.74 -42.18 96.85 Favored 'General case' 0 CA--C 1.53 0.176 0 O-C-N 121.138 -0.976 . . . . 0.0 110.395 177.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -50.99 -45.27 61.07 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.71 1.204 . . . . 0.0 110.128 174.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -73.81 -45.5 51.09 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.645 1.978 . . . . 0.0 111.885 -175.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.52 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 40.9 t -69.96 152.13 44.81 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 127.626 2.37 . . . . 0.0 116.423 -173.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 t -156.09 20.56 0.37 Allowed 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 112.873 -1.967 . . . . 0.0 109.768 174.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -34.28 -78.54 0.02 OUTLIER 'General case' 0 C--N 1.349 0.568 0 C-N-CA 127.373 2.269 . . . . 0.0 113.204 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -101.28 21.19 14.45 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.561 1.144 . . . . 0.0 111.534 -179.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 14.5 mp0 -105.38 -50.32 3.25 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 125.016 1.327 . . . . 0.0 109.722 -177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 73.09 -65.22 0.37 Allowed 'General case' 0 C--N 1.341 0.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.193 -176.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 117.195 -1.383 . . . . 0.0 109.04 179.143 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.928 0 O4'-C1'-N19 110.349 3.186 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.679 0 O4'-C1'-N19 110.837 3.796 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.519 1 O4'-C1'-N19 111.147 4.183 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.629 1 O4'-C1'-N19 111.789 4.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.517 1 O4'-C1'-N19 112.656 6.07 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 0 N19-C1'-C2' 120.171 3.732 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.241 3 O4'-C1'-N19 115.291 9.364 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.632 3.932 3 O4'-C1'-N19 116.335 10.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.466 ' H71' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.538 3.413 0 O5'-C5'-C4' 115.269 3.621 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.886 0 P-O3'-C3' 123.36 3.05 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.471 2 O4'-C1'-N19 115.149 9.186 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.307 0 P-O3'-C3' 122.791 2.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.539 0 O4'-C1'-N19 110.13 2.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.784 0 P-O3'-C3' 123.097 2.831 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 38.4 p-10 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.753 0.279 . . . . 0.0 111.753 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.8 m -139.85 160.16 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.487 1.115 . . . . 0.0 111.023 -178.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.6 108.59 11.26 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 129.559 3.144 . . . . 0.0 103.602 173.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.8 t -47.2 126.99 10.07 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 124.187 0.995 . . . . 0.0 112.479 -174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -73.1 -26.18 61.14 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.256 1.022 . . . . 0.0 110.209 -177.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -92.98 -6.63 47.97 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 127.532 2.333 . . . . 0.0 113.021 -176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.1 p -153.43 -32.17 0.12 Allowed 'General case' 0 C--N 1.347 0.47 0 CA-C-N 120.362 1.437 . . . . 0.0 114.359 176.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.6 -44.03 1.57 Allowed Glycine 0 C--N 1.34 0.79 0 C-N-CA 125.189 1.376 . . . . 0.0 111.337 -179.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -53.49 139.03 32.3 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.402 0.681 . . . . 0.0 111.982 -174.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.43 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 4.2 mp0 -76.99 -174.51 3.15 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 125.095 1.358 . . . . 0.0 113.253 -174.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.68 -6.53 3.5 Favored Glycine 0 CA--C 1.533 1.205 0 CA-C-N 113.104 -1.862 . . . . 0.0 114.017 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -151.2 163.44 38.85 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 119.027 1.414 . . . . 0.0 113.227 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.1 p -105.53 175.63 5.43 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 125.959 1.703 . . . . 0.0 111.025 -174.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -61.21 -43.49 98.79 Favored 'General case' 0 CA--C 1.527 0.085 0 O-C-N 121.788 -0.57 . . . . 0.0 111.714 177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -62.31 -30.16 70.96 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 123.315 0.646 . . . . 0.0 112.193 178.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -71.76 -44.23 64.42 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 173.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.8 t -68.35 103.05 1.52 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.431 1.093 . . . . 0.0 111.609 -174.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.6 mtm180 -81.16 68.48 7.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 174.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -127.47 152.03 75.86 Favored Pre-proline 0 CA--C 1.535 0.376 0 C-N-CA 127.998 2.519 . . . . 0.0 106.533 174.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -64.19 119.52 6.59 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.414 2.076 . . . . 0.0 110.446 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.8 ptt180 -89.92 175.32 7.24 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 123.718 0.807 . . . . 0.0 111.012 -175.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -89.73 -176.24 4.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.209 1.004 . . . . 0.0 109.799 175.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.0 mtmt -89.11 -49.67 6.61 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 177.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -117.72 -163.63 12.91 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 125.763 1.649 . . . . 0.0 111.696 -174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 10.1 t -25.04 105.71 0.02 OUTLIER 'General case' 0 C--N 1.339 0.138 0 C-N-CA 128.992 2.917 . . . . 0.0 113.764 178.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 9.8 m0 -59.1 -41.59 88.46 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 123.523 0.729 . . . . 0.0 112.311 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -74.22 -75.37 0.16 Allowed 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 117.812 0.278 . . . . 0.0 111.436 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -63.07 -40.23 97.07 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -174.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 122.34 -48.36 0.96 Allowed Glycine 0 CA--C 1.533 1.165 0 C-N-CA 124.062 0.839 . . . . 0.0 112.803 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -53.34 155.92 2.6 Favored 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 125.1 1.36 . . . . 0.0 113.417 -174.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.26 -172.38 2.05 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.454 1.102 . . . . 0.0 110.476 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.29 4.7 74.64 Favored Glycine 0 CA--C 1.536 1.396 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.626 -174.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.501 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 15.9 p-80 -163.13 164.74 25.19 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.442 1.497 . . . . 0.0 109.102 177.624 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -105.51 166.91 10.1 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 118.54 0.609 . . . . 0.0 111.403 -175.329 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.1 tmm? -59.72 -43.95 93.96 Favored 'General case' 0 CA--C 1.53 0.185 0 O-C-N 121.185 -0.947 . . . . 0.0 110.039 174.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 53.1 mmtt -49.52 -47.21 49.03 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.731 1.212 . . . . 0.0 110.501 173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -70.48 -46.18 64.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 126.431 1.892 . . . . 0.0 112.547 -174.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.501 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 28.1 t -60.53 148.29 38.43 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -173.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.1 t -128.57 -11.55 5.0 Favored 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 126.988 2.115 . . . . 0.0 111.999 174.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -43.25 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.35 0.605 0 C-N-CA 126.4 1.88 . . . . 0.0 112.575 -174.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.0 mtm105 -97.94 38.53 1.3 Allowed 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.848 0.859 . . . . 0.0 108.916 174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -137.81 62.19 1.58 Allowed 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 126.13 1.772 . . . . 0.0 108.08 -177.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.04 135.6 54.87 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 123.332 0.653 . . . . 0.0 110.318 -179.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 t30 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 117.068 -1.444 . . . . 0.0 108.345 -179.091 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.769 0 C4'-C3'-C2' 99.848 -3.352 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.753 1 O4'-C1'-N19 111.13 4.162 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.609 0 P-O3'-C3' 123.772 3.393 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.929 0 P-O3'-C3' 123.511 3.176 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.173 1 O4'-C1'-N19 113.815 7.519 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.892 2 O4'-C1'-N19 112.117 5.396 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 1 O4'-C1'-N19 112.165 5.457 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.803 1 P-O3'-C3' 126.259 5.466 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.53 2.335 1 O4'-C1'-N19 111.998 5.248 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 115.774 9.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.671 2 O4'-C1'-N19 112.016 5.27 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.716 0 P-O3'-C3' 123.591 3.242 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.023 1 O4'-C1'-N19 112.442 5.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.272 0 O4'-C1'-N19 110.376 3.22 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.5 p30 . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.151 0.056 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.0 m -128.92 162.14 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.113 0 C-N-CA 124.626 1.17 . . . . 0.0 110.226 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -136.07 129.43 31.9 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 106.329 -1.73 . . . . 0.0 106.329 173.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.954 ' HB3' ' H ' ' A' ' 19' ' ' GLY . 48.6 t -58.77 115.36 3.03 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 -174.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -77.04 8.26 4.05 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.525 1.13 . . . . 0.0 111.828 177.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 57.6 t-20 -126.1 -25.0 3.62 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 128.093 2.557 . . . . 0.0 110.288 -174.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -144.24 -43.04 0.26 Allowed 'General case' 0 C--N 1.349 0.561 0 CA-C-N 119.375 0.989 . . . . 0.0 109.804 -179.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.954 ' H ' ' HB3' ' A' ' 15' ' ' CYS . . . 109.89 -6.45 31.05 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 118.999 0.818 . . . . 0.0 114.028 174.144 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -75.28 129.32 37.23 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 174.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mp0 -72.47 -171.26 0.77 Allowed 'General case' 0 N--CA 1.433 -1.307 0 CA-C-O 122.562 1.172 . . . . 0.0 110.059 -174.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.53 -23.63 0.99 Allowed Glycine 0 CA--C 1.534 1.226 0 CA-C-O 117.488 -1.729 . . . . 0.0 111.772 -174.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.471 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 17.5 p-80 -133.82 161.48 34.61 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.687 2.243 . . . . 0.0 112.367 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -94.1 168.95 10.61 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 126.069 1.748 . . . . 0.0 108.89 175.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -52.64 -42.37 64.59 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.235 1.014 . . . . 0.0 112.825 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.419 ' HB3' ' H72' ' B' ' 109' ' ' ' DT' . 26.3 ptt85 -70.29 -33.65 71.8 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 -178.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.471 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.9 t-20 -63.71 -50.8 67.73 Favored 'General case' 0 C--N 1.342 0.272 0 CA-C-N 118.945 0.793 . . . . 0.0 108.93 174.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 10.7 t -42.68 -41.18 3.03 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 125.813 1.645 . . . . 0.0 114.727 -174.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 50.38 52.71 14.25 Favored 'General case' 0 N--CA 1.443 -0.806 0 C-N-CA 125.878 1.671 . . . . 0.0 109.82 -178.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -117.84 164.15 21.07 Favored Pre-proline 0 CA--C 1.535 0.389 0 C-N-CA 127.053 2.141 . . . . 0.0 107.982 174.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.22 113.72 2.35 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.814 2.343 . . . . 0.0 110.315 176.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 26.8 ptt-85 -97.43 -175.65 3.27 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.384 1.074 . . . . 0.0 110.624 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mttm -89.62 179.46 6.03 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 123.667 0.787 . . . . 0.0 110.806 -175.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -89.25 -59.46 2.21 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -99.58 -157.42 28.69 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 34.0 t -40.16 118.23 0.88 Allowed 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 128.321 2.648 . . . . 0.0 112.622 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 17.0 m0 -56.52 -45.28 81.18 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.941 0.896 . . . . 0.0 112.506 178.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -75.11 -76.37 0.15 Allowed 'General case' 0 C--N 1.342 0.267 0 CA-C-N 118.548 0.613 . . . . 0.0 110.216 -175.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.46 -36.23 83.5 Favored 'General case' 0 N--CA 1.439 -1.025 0 N-CA-C 114.39 1.256 . . . . 0.0 114.39 -174.651 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 115.59 -48.66 0.92 Allowed Glycine 0 C--N 1.345 1.08 0 C-N-CA 124.357 0.98 . . . . 0.0 112.404 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.0 mttt -52.48 148.36 7.01 Favored 'General case' 0 C--O 1.222 -0.383 0 C-N-CA 126.044 1.737 . . . . 0.0 112.023 -174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.36 -178.13 3.37 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 124.785 1.234 . . . . 0.0 111.638 -174.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 89.47 -37.44 3.34 Favored Glycine 0 CA--C 1.528 0.905 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -174.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -113.94 163.71 14.76 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.721 1.609 . . . . 0.0 110.4 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 17.3 mm100 -104.12 166.62 10.29 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.949 0.9 . . . . 0.0 110.234 -178.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 7.7 tmm? -58.15 -41.13 83.07 Favored 'General case' 0 N--CA 1.464 0.231 0 O-C-N 120.698 -1.251 . . . . 0.0 109.965 174.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -49.77 -49.48 48.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.39 1.476 . . . . 0.0 110.112 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -68.86 -44.04 74.17 Favored 'General case' 0 CA--C 1.534 0.337 0 C-N-CA 126.756 2.022 . . . . 0.0 111.712 -177.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 11.2 t -52.67 151.14 4.55 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 126.652 1.981 . . . . 0.0 112.418 -174.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.7 t -159.12 38.62 0.21 Allowed 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 125.945 1.698 . . . . 0.0 108.6 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -84.28 -109.49 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -102.42 64.51 0.91 Allowed 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 174.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.6 mm-40 -86.18 61.86 7.08 Favored 'General case' 0 C--N 1.34 0.158 0 C-N-CA 123.324 0.65 . . . . 0.0 110.822 -174.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.48 75.91 4.99 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 174.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 116.681 -1.628 . . . . 0.0 109.567 -174.784 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.488 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.414 -2.895 1 O4'-C1'-N19 113.018 6.523 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.488 ' H73' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.538 3.34 1 O4'-C1'-N19 111.141 4.176 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.042 0 P-O3'-C3' 123.865 3.471 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.657 0 O4'-C1'-N19 110.443 3.304 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.923 0 O4'-C1'-N19 110.617 3.521 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.181 0 O4'-C1'-N19 110.844 3.805 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 O4'--C4' 1.383 -5.714 4 O4'-C1'-N19 103.418 -5.478 . . . . 0.0 . . . . . . . . . . 2 1 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.621 1 P-O3'-C3' 127.312 6.344 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.419 ' H72' ' HB3' ' A' ' 26' ' ' ARG . . . . . . . . 0 C5'--C4' 1.532 2.66 1 O4'-C1'-N19 112.875 6.343 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.589 3 O4'-C1'-N19 115.413 9.516 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.376 2 O4'-C1'-N19 112.108 5.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.44 0 O4'-C1'-N19 110.993 3.991 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.056 0 O4'-C1'-N19 110.361 3.202 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.247 0 O4'-C1'-N19 109.908 2.635 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 32.0 m120 . . . . . 0 N--CA 1.478 0.968 0 CA-C-O 119.765 -0.16 . . . . 0.0 111.309 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 16.2 m -143.95 167.39 12.42 Favored 'Isoleucine or valine' 0 C--N 1.341 0.227 0 N-CA-C 113.693 0.997 . . . . 0.0 113.693 -174.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -138.01 106.84 5.94 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 129.283 3.033 . . . . 0.0 104.661 173.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 40.4 t -44.03 121.32 2.41 Favored 'General case' 0 C--O 1.225 -0.229 0 C-N-CA 125.555 1.542 . . . . 0.0 112.627 -174.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -70.31 -28.57 65.28 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.233 1.413 . . . . 0.0 110.649 -176.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.2 t-20 -81.78 -29.52 32.71 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 126.595 1.958 . . . . 0.0 112.594 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.1 p -136.17 -29.42 1.0 Allowed 'General case' 0 C--N 1.349 0.562 0 N-CA-C 114.741 1.386 . . . . 0.0 114.741 -174.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.74 53.08 3.13 Favored Glycine 0 C--N 1.339 0.725 0 CA-C-N 118.897 0.771 . . . . 0.0 112.479 178.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.2 tttp -138.35 137.81 37.71 Favored 'General case' 0 N--CA 1.446 -0.662 0 C-N-CA 126.271 1.828 . . . . 0.0 107.779 174.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -77.69 172.94 12.63 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.368 1.467 . . . . 0.0 112.347 -174.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.68 -59.77 3.63 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 -177.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 53.6 p-80 -102.56 167.77 9.71 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.386 1.074 . . . . 0.0 113.442 -174.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 9.9 p -108.18 170.51 7.96 Favored 'General case' 0 C--N 1.342 0.244 0 C-N-CA 127.037 2.135 . . . . 0.0 109.628 176.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -47.28 -43.91 22.73 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 123.384 0.674 . . . . 0.0 112.276 175.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.3 ptp180 -60.02 -41.94 93.24 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -176.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.442 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 11.5 t-20 -63.49 -45.66 89.71 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -54.31 113.93 1.45 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.816 1.246 . . . . 0.0 113.539 -174.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -82.92 66.03 8.34 Favored 'General case' 0 N--CA 1.452 -0.343 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 174.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.37 149.22 50.56 Favored Pre-proline 0 CA--C 1.532 0.258 0 C-N-CA 125.17 1.388 . . . . 0.0 108.544 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 70.3 Cg_endo -71.26 133.55 23.07 Favored 'Trans proline' 0 N--CA 1.453 -0.884 0 C-N-CA 122.772 2.315 . . . . 0.0 110.167 179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.54 175.86 7.12 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-O 121.225 0.536 . . . . 0.0 110.531 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -89.62 -168.75 2.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 125.188 1.395 . . . . 0.0 110.372 -173.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -89.56 -65.91 0.97 Allowed 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 177.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -103.55 -162.29 25.18 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 124.489 1.042 . . . . 0.0 111.769 -174.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.5 t -36.58 113.35 0.23 Allowed 'General case' 0 C--N 1.338 0.096 0 C-N-CA 127.468 2.307 . . . . 0.0 112.585 179.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.1 m0 -54.29 -51.14 65.56 Favored 'General case' 0 C--N 1.342 0.265 0 C-N-CA 123.065 0.546 . . . . 0.0 111.969 -176.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.4 mttm -76.15 -73.45 0.27 Allowed 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 122.789 0.435 . . . . 0.0 111.399 -176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.23 -29.7 70.58 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 -174.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.45 -41.36 2.18 Favored Glycine 0 C--N 1.341 0.818 0 CA-C-N 118.712 0.687 . . . . 0.0 112.129 174.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -58.23 132.5 53.76 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 124.054 0.942 . . . . 0.0 110.463 -175.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -89.52 -173.2 3.88 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.576 0.75 . . . . 0.0 111.332 -176.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 85.53 -31.02 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -174.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -130.95 166.03 21.85 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.617 1.567 . . . . 0.0 110.16 178.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.6 mm-40 -107.1 171.23 7.49 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 123.624 0.77 . . . . 0.0 110.921 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.6 tmm? -59.42 -44.02 92.94 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 121.001 -1.062 . . . . 0.0 111.628 -176.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mtpt -54.8 -52.35 62.93 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.114 0.966 . . . . 0.0 110.531 174.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -57.22 -42.82 82.1 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 126.799 2.04 . . . . 0.0 112.373 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 9.8 t -46.4 155.67 0.21 Allowed 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 127.852 2.461 . . . . 0.0 114.496 -174.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 53.4 p -119.41 -26.64 5.76 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 127.201 2.2 . . . . 0.0 110.588 174.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -64.59 -77.97 0.05 Allowed 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 126.14 1.776 . . . . 0.0 111.246 -174.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -115.74 88.31 2.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 104.892 -2.262 . . . . 0.0 104.892 174.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 75.9 mt-30 -68.04 -165.84 0.06 Allowed 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.357 1.863 . . . . 0.0 110.395 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -77.13 61.08 2.0 Allowed 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.115 0.966 . . . . 0.0 111.981 -177.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 . . . . . 0 C--O 1.25 1.121 0 C-N-CA 126.296 1.838 . . . . 0.0 111.307 -179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.435 " H1'" ' H73' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.751 1 O4'-C1'-N19 113.129 6.662 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.435 ' H73' " H1'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.204 1 O4'-C1'-N19 111.747 4.934 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.745 0 P-O3'-C3' 123.598 3.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.636 0 O4'-C1'-N19 110.981 3.976 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.338 1 O4'-C1'-N19 112.895 6.369 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.103 2 P-O3'-C3' 126.427 5.606 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.411 " O4'" ' H71' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.531 2.527 1 C4'-C3'-C2' 97.811 -5.389 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.411 ' H71' " O4'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.04 1 P-O3'-C3' 125.255 4.629 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.16 3 O4'-C1'-N19 113.918 7.647 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.905 2 O4'-C1'-N19 117.309 11.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.715 1 O4'-C1'-N19 113.513 7.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . 0.41 " H1'" " H5'" ' B' ' 113' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.536 3.109 0 P-O3'-C3' 123.842 3.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . 0.41 " H5'" " H1'" ' B' ' 112' ' ' ' DG' . . . . . . . . 1 C5'--C4' 1.545 4.257 1 C4'-C3'-C2' 98.509 -4.691 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 013 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.09 0 O4'-C1'-N19 110.052 2.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.1 p30 . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 119.684 -0.198 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.1 p -168.98 166.21 0.38 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.225 0 C-N-CA 124.999 1.32 . . . . 0.0 107.922 -175.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -129.81 127.26 39.95 Favored 'General case' 0 C--N 1.337 0.056 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 174.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 42.4 t -62.06 126.59 27.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 122.821 0.448 . . . . 0.0 110.336 -179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -76.78 -24.29 52.88 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.998 0.919 . . . . 0.0 110.37 -178.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -90.1 -9.63 47.67 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.96 2.104 . . . . 0.0 112.969 -176.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 2.3 p -151.68 -28.0 0.18 Allowed 'General case' 0 C--N 1.346 0.442 0 CA-C-N 119.95 1.25 . . . . 0.0 114.329 177.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.99 -42.63 1.91 Allowed Glycine 0 C--N 1.34 0.777 0 C-N-CA 124.713 1.149 . . . . 0.0 111.71 179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 tptt -53.96 137.53 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.753 0.821 . . . . 0.0 111.516 -176.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -78.41 -163.13 0.41 Allowed 'General case' 0 N--CA 1.445 -0.707 0 C-N-CA 123.964 0.906 . . . . 0.0 110.695 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 75.19 -50.25 2.33 Favored Glycine 0 CA--C 1.534 1.256 0 C-N-CA 124.381 0.991 . . . . 0.0 112.146 -174.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.5 p-80 -120.04 165.24 14.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.734 1.613 . . . . 0.0 113.654 -174.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.1 p -102.16 171.34 7.54 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 126.236 1.814 . . . . 0.0 111.424 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.45 -42.46 70.62 Favored 'General case' 0 C--N 1.343 0.296 0 O-C-N 121.86 -0.525 . . . . 0.0 111.737 177.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 32.0 ptt180 -60.73 -37.81 83.01 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 123.322 0.649 . . . . 0.0 112.402 -178.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -67.83 -47.96 67.55 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 122.767 0.427 . . . . 0.0 110.298 174.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 3.1 t -49.77 116.07 1.64 Allowed 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.826 1.25 . . . . 0.0 112.704 -174.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.4 tpp180 -84.75 59.27 5.43 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -131.82 151.35 78.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 C-N-CA 126.17 1.788 . . . . 0.0 108.647 -175.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -64.86 124.39 13.06 Favored 'Trans proline' 0 N--CA 1.454 -0.813 0 C-N-CA 122.816 2.344 . . . . 0.0 110.422 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 61.3 mtt85 -89.78 168.31 12.18 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.401 1.08 . . . . 0.0 110.547 -174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -89.62 170.76 10.2 Favored 'General case' 0 N--CA 1.441 -0.891 0 C-N-CA 125.942 1.697 . . . . 0.0 109.18 -179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -89.57 -53.39 4.55 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.894 0.878 . . . . 0.0 108.866 174.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.9 -166.62 30.48 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.983 0.801 . . . . 0.0 112.107 -178.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 45.4 t -42.61 119.03 1.33 Allowed 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 127.748 2.419 . . . . 0.0 112.414 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.9 m0 -62.9 -40.83 98.76 Favored 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.697 0.629 . . . . 0.0 112.697 -177.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 42.0 mttp -72.5 -78.57 0.08 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.786 0.721 . . . . 0.0 110.562 176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.8 -28.89 70.31 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 115.578 1.696 . . . . 0.0 115.578 -174.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.42 -45.35 1.34 Allowed Glycine 0 C--N 1.34 0.786 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 175.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 56.7 mttp -58.94 141.27 54.11 Favored 'General case' 0 C--N 1.339 0.109 0 C-N-CA 124.515 1.126 . . . . 0.0 111.599 -174.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -96.05 -168.66 1.79 Allowed 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.247 1.019 . . . . 0.0 111.002 -176.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.23 5.87 67.66 Favored Glycine 0 CA--C 1.534 1.228 0 CA-C-O 119.316 -0.713 . . . . 0.0 112.317 -174.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 -165.02 163.92 20.61 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.01 1.324 . . . . 0.0 109.116 178.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -104.18 167.6 9.65 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.112 0.565 . . . . 0.0 110.857 -176.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 12.5 tmm? -59.38 -43.44 92.9 Favored 'General case' 0 CA--C 1.529 0.172 0 O-C-N 120.881 -1.137 . . . . 0.0 111.571 -179.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -55.96 -47.98 76.61 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.048 0.539 . . . . 0.0 110.544 174.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -58.22 -44.99 88.45 Favored 'General case' 0 CA--C 1.531 0.23 0 C-N-CA 125.466 1.507 . . . . 0.0 111.27 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 10.0 t -55.55 153.68 7.44 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 126.111 1.764 . . . . 0.0 112.79 -175.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.9 t -152.41 40.59 0.6 Allowed 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 125.696 1.598 . . . . 0.0 109.173 175.506 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -76.64 -80.74 0.09 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.924 1.29 . . . . 0.0 107.898 175.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 80.6 mtt85 -142.09 86.68 1.99 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.61 1.564 . . . . 0.0 107.263 176.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 -65.94 -65.52 0.67 Allowed 'General case' 0 CA--C 1.531 0.212 0 C-N-CA 123.485 0.714 . . . . 0.0 110.075 -178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 67.18 -75.07 0.06 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 126.325 1.85 . . . . 0.0 112.302 178.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 117.821 -1.085 . . . . 0.0 108.991 -175.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.845 ' C6 ' ' O2 ' ' B' ' 114' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.415 -2.863 0 C4'-C3'-C2' 100.145 -3.055 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.638 0 O4'-C1'-N19 110.888 3.86 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.766 1 O4'-C1'-N19 111.057 4.071 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -2.803 1 O4'-C1'-N19 112.37 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.316 1 O4'-C1'-N19 112.541 5.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.651 2 O4'-C1'-N19 112.031 5.289 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.5 2 O4'-C1'-C2' 100.605 -4.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.578 H2'' ' H71' ' B' ' 109' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.538 3.398 1 P-O3'-C3' 126.548 5.706 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . 0.578 ' H71' H2'' ' B' ' 108' ' ' ' DT' . . . . . . . . 0 C5'--C4' 1.536 3.171 1 O4'-C1'-N19 111.391 4.488 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.991 2 O4'-C1'-N19 113.827 7.533 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.923 1 O4'-C1'-N19 114.509 8.386 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.382 0 P-O3'-C3' 124.12 3.684 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.457 2 O4'-C1'-N19 113.538 7.172 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . 0.845 ' O2 ' ' C6 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.531 2.45 1 O4'-C1'-N19 112.421 5.777 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.7 p-10 . . . . . 0 N--CA 1.474 0.771 0 N-CA-C 111.288 0.107 . . . . 0.0 111.288 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m -141.79 84.41 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 C-N-CA 124.568 1.147 . . . . 0.0 110.61 -174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.407 ' H ' ' HG3' ' A' ' 14' ' ' LYS . 0.0 OUTLIER -65.2 91.41 0.1 Allowed 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 177.65 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.2 t -39.19 109.27 0.1 Allowed 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 126.205 1.802 . . . . 0.0 112.608 -174.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -64.52 -19.08 65.39 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.515 1.126 . . . . 0.0 111.307 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.535 HD22 ' HB3' ' A' ' 28' ' ' CYS . 44.0 t-20 -85.89 -23.85 26.88 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 127.071 2.148 . . . . 0.0 112.785 177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 4.9 p -151.99 -42.84 0.11 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 120.146 1.339 . . . . 0.0 114.119 -176.231 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.08 -34.61 1.75 Allowed Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.346 0.974 . . . . 0.0 115.469 174.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.3 ttmt -56.13 123.14 13.45 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 114.904 1.446 . . . . 0.0 114.904 -174.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -57.96 -21.33 43.65 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 130.196 3.398 . . . . 0.0 117.015 175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -71.51 -32.14 64.95 Favored Glycine 0 N--CA 1.432 -1.595 1 C-N-CA 131.306 4.289 . . . . 0.0 113.104 -175.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -147.21 163.45 36.31 Favored 'General case' 0 C--N 1.342 0.262 0 CA-C-N 117.293 0.547 . . . . 0.0 111.508 -174.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 p -94.49 164.98 12.77 Favored 'General case' 0 C--O 1.227 -0.117 0 C-N-CA 124.006 0.922 . . . . 0.0 110.878 -176.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -54.57 -33.4 60.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 119.194 -0.431 . . . . 0.0 111.934 174.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 16.1 ptm180 -67.14 -46.76 73.09 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-O 119.028 -0.511 . . . . 0.0 111.918 176.301 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -56.62 -49.48 74.86 Favored 'General case' 0 C--N 1.34 0.171 0 CA-C-N 118.759 0.709 . . . . 0.0 110.571 175.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.535 ' HB3' HD22 ' A' ' 17' ' ' ASN . 9.7 t -58.78 117.33 4.48 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 124.581 1.153 . . . . 0.0 109.837 -179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.1 ttt180 -100.25 52.22 0.89 Allowed 'General case' 0 N--CA 1.455 -0.196 0 CA-C-O 121.526 0.679 . . . . 0.0 109.664 176.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.51 160.62 25.61 Favored Pre-proline 0 CA--C 1.533 0.319 0 C-N-CA 126.229 1.812 . . . . 0.0 108.003 174.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.12 118.01 4.83 Favored 'Trans proline' 0 N--CA 1.455 -0.764 0 C-N-CA 123.203 2.602 . . . . 0.0 110.509 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.3 ptt85 -97.59 179.31 4.89 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.067 0.947 . . . . 0.0 111.124 -174.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 tppt? -89.98 162.51 15.36 Favored 'General case' 0 N--CA 1.44 -0.966 0 C-N-CA 127.354 2.262 . . . . 0.0 109.628 -174.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.1 mtpt -89.62 -60.56 1.91 Allowed 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.946 0.899 . . . . 0.0 108.685 174.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -92.72 -155.16 31.73 Favored Glycine 0 CA--C 1.53 0.977 0 C-N-CA 124.485 1.041 . . . . 0.0 111.228 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.8 t -54.83 127.35 28.1 Favored 'General case' 0 C--N 1.34 0.183 0 C-N-CA 125.088 1.355 . . . . 0.0 111.753 -176.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 7.5 m0 -59.8 -59.93 4.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.447 0.699 . . . . 0.0 112.404 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -69.27 -70.67 0.26 Allowed 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.814 0.446 . . . . 0.0 110.861 -174.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -29.8 70.27 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 124.745 1.218 . . . . 0.0 113.713 -174.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.02 -44.62 1.49 Allowed Glycine 0 C--N 1.342 0.895 0 N-CA-C 111.51 -0.636 . . . . 0.0 111.51 174.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -58.27 136.44 57.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.123 1.369 . . . . 0.0 111.577 -174.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 42' ' ' GLU . 0.1 OUTLIER -88.8 -170.22 2.83 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 124.102 0.961 . . . . 0.0 111.26 -176.352 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 74.66 5.31 73.44 Favored Glycine 0 CA--C 1.533 1.201 0 C-N-CA 123.906 0.765 . . . . 0.0 113.193 -176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 24.0 p-80 -165.07 164.34 20.42 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.565 1.146 . . . . 0.0 109.263 179.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -102.2 162.84 12.6 Favored 'General case' 0 C--O 1.222 -0.344 0 C-N-CA 122.906 0.483 . . . . 0.0 110.027 -178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -54.66 -42.26 71.12 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 120.778 -1.201 . . . . 0.0 111.607 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -56.11 -49.12 74.75 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.139 0.976 . . . . 0.0 110.691 174.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -64.42 -46.0 85.14 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 126.795 2.038 . . . . 0.0 112.512 -177.431 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 33.8 t -20.48 -81.93 0.01 OUTLIER 'General case' 0 C--N 1.339 0.112 0 C-N-CA 130.692 3.597 . . . . 0.0 116.325 -174.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 62.1 p 56.27 39.38 30.21 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 129.401 3.08 . . . . 0.0 112.048 -175.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -79.25 -80.0 0.13 Allowed 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 174.291 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -144.31 74.34 1.42 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.553 1.541 . . . . 0.0 107.386 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -81.04 61.81 4.76 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 123.546 0.739 . . . . 0.0 110.795 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -79.05 79.9 5.42 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 107.556 -1.275 . . . . 0.0 107.556 174.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 . . . . . 0 C--O 1.251 1.167 0 C-N-CA 126.193 1.797 . . . . 0.0 110.115 -174.711 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 1.004 ' H8 ' ' C7 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.413 -3.017 1 O4'-C1'-N19 113.202 6.752 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 1.004 ' C7 ' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 2.978 0 O4'-C1'-N19 110.045 2.806 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.768 0 O4'-C1'-N19 110.665 3.581 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.434 1 O4'-C1'-N19 112.515 5.894 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 1 O4'-C1'-N19 111.244 4.304 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.335 1 O4'-C1'-N19 111.585 4.731 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 1 O4'-C1'-N19 112.123 5.403 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.949 1 P-O3'-C3' 126.729 5.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.447 1 O4'-C1'-N19 111.874 5.092 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.242 1 O4'-C1'-N19 112.814 6.267 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.652 4 O4'-C1'-N19 119.607 14.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.308 0 C4'-C3'-C2' 99.609 -3.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.797 1 O4'-C1'-N19 113.137 6.672 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.701 1 O4'-C1'-N19 111.915 5.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 27.0 m120 . . . . . 0 N--CA 1.473 0.694 0 CA-C-O 121.257 0.551 . . . . 0.0 111.969 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.6 168.06 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 126.627 1.971 . . . . 0.0 110.62 -177.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -113.87 126.61 55.38 Favored 'General case' 0 N--CA 1.461 0.105 0 C-N-CA 126.975 2.11 . . . . 0.0 107.717 174.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 45.7 t -68.68 130.66 43.46 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 174.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -85.65 -29.05 24.34 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 123.317 0.647 . . . . 0.0 111.271 -174.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -66.43 -57.2 7.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.881 1.673 . . . . 0.0 111.5 176.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.5 p -108.07 -27.92 9.84 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.563 1.545 . . . . 0.0 114.409 -173.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 110.69 -47.6 1.03 Allowed Glycine 0 C--N 1.344 0.981 0 C-N-CA 124.243 0.925 . . . . 0.0 111.558 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -50.42 124.82 11.35 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 124.309 1.044 . . . . 0.0 113.526 -174.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 25.9 mp0 -70.9 176.59 4.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 125.39 1.476 . . . . 0.0 111.76 -175.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 95.49 -44.85 2.07 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -124.18 162.36 23.78 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.13 1.372 . . . . 0.0 111.999 -174.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 2.1 p -96.07 168.83 10.37 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 125.242 1.417 . . . . 0.0 111.177 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -57.74 -38.63 75.68 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 122.897 0.479 . . . . 0.0 111.393 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 39.3 ptt180 -62.19 -34.92 77.35 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 176.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -72.96 -45.87 55.57 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-N 118.138 0.427 . . . . 0.0 111.221 175.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -47.18 109.81 0.24 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.613 1.565 . . . . 0.0 114.702 -173.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -82.45 64.83 7.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 124.042 0.937 . . . . 0.0 108.484 174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -142.94 157.86 60.26 Favored Pre-proline 0 C--N 1.34 0.195 0 C-N-CA 125.358 1.463 . . . . 0.0 108.714 175.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -62.56 127.81 21.79 Favored 'Trans proline' 0 N--CA 1.455 -0.77 0 C-N-CA 123.193 2.596 . . . . 0.0 109.567 175.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.35 -177.19 5.31 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.052 0.453 . . . . 0.0 110.476 -177.535 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.94 171.24 10.03 Favored 'General case' 0 N--CA 1.444 -0.775 0 C-N-CA 124.904 1.282 . . . . 0.0 111.979 -173.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.53 -65.06 1.05 Allowed 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 176.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -98.34 -151.18 26.9 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.362 0.982 . . . . 0.0 111.292 -177.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.1 t -54.46 117.41 3.3 Favored 'General case' 0 CA--C 1.529 0.158 0 C-N-CA 126.356 1.862 . . . . 0.0 112.157 -174.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 11.5 m0 -52.78 -41.02 63.7 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 123.422 0.689 . . . . 0.0 112.69 175.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -75.41 -79.32 0.1 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.046 0.938 . . . . 0.0 110.893 -174.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -73.98 -22.28 59.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.17 -45.93 1.24 Allowed Glycine 0 C--N 1.34 0.766 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 176.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -52.02 134.91 31.81 Favored 'General case' 0 C--N 1.339 0.13 0 C-N-CA 125.587 1.555 . . . . 0.0 111.903 -174.464 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -92.85 -176.25 4.16 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 121.646 0.736 . . . . 0.0 111.296 -177.344 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 79.72 -1.34 78.62 Favored Glycine 0 CA--C 1.533 1.161 0 CA-C-N 114.742 -1.117 . . . . 0.0 111.43 -174.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -156.21 160.45 39.84 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 124.951 1.3 . . . . 0.0 108.96 174.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -100.19 170.57 8.37 Favored 'General case' 0 C--O 1.221 -0.399 0 C-N-CA 123.252 0.621 . . . . 0.0 110.343 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 14.4 tmm? -60.03 -42.76 95.07 Favored 'General case' 0 C--N 1.333 -0.135 0 O-C-N 120.876 -1.14 . . . . 0.0 110.467 175.507 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -44.23 69.63 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.517 1.127 . . . . 0.0 110.328 174.645 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -72.57 -42.55 64.51 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.508 1.923 . . . . 0.0 112.624 -176.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.5 t -41.61 147.78 0.17 Allowed 'General case' 0 C--N 1.34 0.186 0 C-N-CA 127.876 2.47 . . . . 0.0 113.87 -174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.8 p -130.22 -6.89 4.32 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 126.346 1.858 . . . . 0.0 112.348 -174.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -46.93 -81.9 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 126.636 1.974 . . . . 0.0 112.26 -174.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -134.58 70.19 1.45 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 106.875 -1.528 . . . . 0.0 106.875 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -43.55 111.13 0.25 Allowed 'General case' 0 CA--C 1.533 0.313 0 C-N-CA 126.266 1.826 . . . . 0.0 113.06 -174.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -167.7 106.38 0.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.825 1.65 . . . . 0.0 106.965 176.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.8 t30 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 117.493 -1.242 . . . . 0.0 110.409 -174.963 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 1.024 ' H8 ' ' H71' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.409 -3.325 1 O4'-C1'-N19 111.845 5.056 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 1.024 ' H71' ' H8 ' ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.533 2.75 0 O4'-C1'-N19 110.996 3.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.72 0 O4'-C1'-N19 110.204 3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.546 1 O4'-C1'-N19 111.065 4.081 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.362 1 O4'-C1'-N19 111.592 4.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.45 3 C4'-C3'-C2' 98.234 -4.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . 0.448 " C5'" ' H72' ' B' ' 108' ' ' ' DT' . . . . . . . . 1 O4'--C4' 1.39 -5.104 3 C3'-C2'-C1' 95.502 -5.142 . . . . 0.0 . . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . 0.448 ' H72' " C5'" ' B' ' 107' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.543 3.957 1 P-O3'-C3' 127.711 6.676 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.487 1 O4'-C1'-N19 112.768 6.209 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.698 2 O4'-C1'-N19 113.833 7.541 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.693 1 O4'-C1'-N19 112.374 5.718 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.44 0 P-O3'-C3' 124.037 3.614 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -2.745 0 O4'-C1'-N19 110.765 3.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.865 1 O4'-C1'-N19 111.169 4.212 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.1 m120 . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 120.617 0.246 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.8 p -160.26 166.73 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 125.632 1.573 . . . . 0.0 107.388 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.12 125.61 31.74 Favored 'General case' 0 CA--C 1.519 -0.223 0 C-N-CA 125.04 1.336 . . . . 0.0 109.937 173.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 35.9 t -64.49 135.6 56.21 Favored 'General case' 0 N--CA 1.443 -0.781 0 C-N-CA 124.273 1.029 . . . . 0.0 110.426 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -84.04 -35.9 23.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.91 0.884 . . . . 0.0 109.789 176.034 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.489 HD22 ' HB3' ' A' ' 28' ' ' CYS . 50.2 t-20 -62.56 -20.0 64.24 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.206 1.802 . . . . 0.0 112.657 177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 1.8 p -157.96 -15.56 0.08 Allowed 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.802 1.779 . . . . 0.0 115.802 -177.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.73 -36.1 4.39 Favored Glycine 0 C--N 1.342 0.87 0 CA-C-N 120.074 1.307 . . . . 0.0 112.837 176.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.36 138.56 57.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 117.601 0.7 . . . . 0.0 111.615 -174.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -76.99 -179.79 5.74 Favored 'General case' 0 N--CA 1.447 -0.601 0 C-N-CA 123.307 0.643 . . . . 0.0 111.109 177.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 -45.49 2.22 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -125.06 164.36 20.37 Favored 'General case' 0 C--N 1.342 0.256 0 C-N-CA 124.782 1.233 . . . . 0.0 111.395 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.4 p -101.82 166.39 10.68 Favored 'General case' 0 C--N 1.338 0.102 0 C-N-CA 125.02 1.328 . . . . 0.0 110.131 175.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -48.5 -41.31 29.54 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.283 1.033 . . . . 0.0 112.476 176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 30.1 ptt180 -60.36 -42.24 95.35 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.527 0.731 . . . . 0.0 112.964 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -72.34 -42.73 65.02 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 122.656 0.382 . . . . 0.0 111.659 175.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.489 ' HB3' HD22 ' A' ' 17' ' ' ASN . 48.6 t -50.13 120.73 4.7 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.81 1.244 . . . . 0.0 112.287 -174.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -88.32 70.65 9.13 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 176.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.58 159.69 47.06 Favored Pre-proline 0 CA--C 1.534 0.34 0 C-N-CA 123.969 0.907 . . . . 0.0 110.228 178.327 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_exo -66.81 121.79 9.05 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.51 2.807 . . . . 0.0 110.347 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -89.76 171.44 9.63 Favored 'General case' 0 C--O 1.232 0.159 0 C-N-CA 123.162 0.585 . . . . 0.0 111.161 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 ttmm -90.06 146.2 24.51 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -89.49 -31.25 17.76 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 123.562 0.745 . . . . 0.0 111.982 -174.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.24 -160.74 34.54 Favored Glycine 0 CA--C 1.536 1.371 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 174.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.7 t -64.15 124.38 21.51 Favored 'General case' 0 CA--C 1.52 -0.187 0 C-N-CA 123.727 0.811 . . . . 0.0 110.451 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 46.5 m0 -62.31 -57.76 10.18 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -62.29 -69.35 0.26 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.569 1.147 . . . . 0.0 111.463 -174.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -74.91 -28.91 60.81 Favored 'General case' 0 CA--C 1.53 0.2 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -174.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.8 -42.66 1.85 Allowed Glycine 0 CA--C 1.528 0.872 0 CA-C-N 118.421 0.555 . . . . 0.0 111.778 175.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.1 mttm -56.24 134.73 53.41 Favored 'General case' 0 C--N 1.341 0.204 0 C-N-CA 124.446 1.098 . . . . 0.0 110.612 -175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -87.68 -170.24 2.93 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 123.15 0.58 . . . . 0.0 110.908 -177.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 75.13 -0.71 58.34 Favored Glycine 0 CA--C 1.533 1.212 0 CA-C-O 119.252 -0.749 . . . . 0.0 112.949 -176.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -161.16 168.36 24.39 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.405 1.082 . . . . 0.0 109.823 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -108.46 164.04 12.69 Favored 'General case' 0 C--O 1.223 -0.332 0 C-N-CA 123.702 0.801 . . . . 0.0 111.107 -179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 58.1 ttp -53.46 -37.52 62.71 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 124.76 1.224 . . . . 0.0 110.001 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -53.58 -54.22 40.61 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.089 1.356 . . . . 0.0 110.795 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -61.25 -56.16 23.72 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 126.005 1.722 . . . . 0.0 111.188 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.7 t -37.82 152.02 0.02 OUTLIER 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 129.414 3.086 . . . . 0.0 115.917 -174.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 11.1 t -157.68 42.52 0.31 Allowed 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.438 1.895 . . . . 0.0 108.68 174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -92.2 -86.33 0.24 Allowed 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.75 1.62 . . . . 0.0 107.713 -177.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -113.47 71.73 0.76 Allowed 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 106.87 -1.53 . . . . 0.0 106.87 174.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.8 mt-30 60.83 -179.28 0.1 Allowed 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 127.014 2.126 . . . . 0.0 112.638 -178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -111.14 -66.59 1.06 Allowed 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.139 1.376 . . . . 0.0 108.587 174.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 . . . . . 0 C--O 1.251 1.17 0 CA-C-O 117.536 -1.221 . . . . 0.0 109.889 176.918 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.048 1 O4'-C1'-N19 112.826 6.283 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.461 " H1'" " H5'" ' B' ' 103' ' ' ' DC' . . . . . . . . 0 C5'--C4' 1.535 3.026 1 O4'-C1'-N19 111.36 4.45 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . 0.461 " H5'" " H1'" ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.416 -2.754 0 P-O3'-C3' 123.902 3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.538 1 O4'-C1'-N19 111.588 4.735 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.003 1 O4'-C1'-N19 112.803 6.254 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.052 0 P-O3'-C3' 124.378 3.898 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.613 2 O4'-C1'-N19 113.353 6.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.159 2 P-O3'-C3' 126.648 5.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.012 2 O4'-C1'-N19 113.334 6.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.141 2 O4'-C1'-N19 117.528 12.16 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.765 1 O4'-C1'-N19 117.05 11.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 3.114 0 P-O3'-C3' 123.826 3.438 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.788 1 O4'-C1'-N19 113.366 6.958 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.931 0 O4'-C1'-N19 110.018 2.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.5 p30 . . . . . 0 N--CA 1.475 0.791 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.3 m -158.93 171.78 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 C-N-CA 124.998 1.319 . . . . 0.0 110.788 -173.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -130.8 123.44 29.14 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.793 2.037 . . . . 0.0 106.312 173.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 36.6 t -66.27 117.73 8.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 C-N-CA 123.205 0.602 . . . . 0.0 111.389 -174.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.86 -22.18 66.94 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 123.863 0.865 . . . . 0.0 111.465 176.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 38.3 t-20 -93.99 -2.36 53.19 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.426 1.89 . . . . 0.0 113.573 -175.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 8.1 p -160.06 -30.9 0.06 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 120.204 1.366 . . . . 0.0 113.729 174.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 114.41 -46.89 1.1 Allowed Glycine 0 C--N 1.34 0.759 0 C-N-CA 125.334 1.445 . . . . 0.0 110.721 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -53.56 130.5 36.2 Favored 'General case' 0 C--N 1.341 0.196 0 C-N-CA 123.945 0.898 . . . . 0.0 110.463 -174.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -74.98 -162.46 0.17 Allowed 'General case' 0 N--CA 1.442 -0.853 0 C-N-CA 125.508 1.523 . . . . 0.0 111.603 -174.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 78.63 -56.44 4.18 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 -174.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 27' ' ' ASN . 55.7 p-80 -109.57 173.57 6.26 Favored 'General case' 0 N--CA 1.449 -0.523 0 C-N-CA 126.303 1.841 . . . . 0.0 112.683 -175.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.6 p -112.4 178.38 4.32 Favored 'General case' 0 C--N 1.341 0.199 0 C-N-CA 126.214 1.806 . . . . 0.0 109.511 -177.321 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -50.36 -44.02 54.49 Favored 'General case' 0 C--N 1.341 0.222 0 O-C-N 122.157 -0.339 . . . . 0.0 111.633 174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -61.44 -47.18 86.92 Favored 'General case' 0 N--CA 1.446 -0.656 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -174.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' HB3' ' HB2' ' A' ' 23' ' ' HIS . 16.7 t-20 -57.13 -42.13 80.37 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 118.634 0.652 . . . . 0.0 111.469 176.265 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -57.62 126.56 27.87 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.479 1.289 . . . . 0.0 114.479 -174.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 56.2 mtt-85 -89.01 78.34 7.49 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 174.206 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -147.76 134.57 10.1 Favored Pre-proline 0 CA--C 1.533 0.302 0 C-N-CA 124.059 0.943 . . . . 0.0 108.634 177.235 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -67.55 131.46 24.6 Favored 'Trans proline' 0 N--CA 1.456 -0.697 0 C-N-CA 123.23 2.62 . . . . 0.0 109.074 -178.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.48 -177.16 3.5 Favored 'General case' 0 N--CA 1.454 -0.232 0 N-CA-C 113.852 1.056 . . . . 0.0 113.852 -174.284 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.4 mmtt -89.66 178.99 6.13 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.617 1.567 . . . . 0.0 111.223 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -89.65 -53.97 4.28 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 174.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -108.44 -167.48 21.11 Favored Glycine 0 C--N 1.338 0.684 0 C-N-CA 125.672 1.605 . . . . 0.0 113.615 -174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.4 t -39.71 115.93 0.57 Allowed 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 127.307 2.243 . . . . 0.0 112.918 -175.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 21.5 m0 -60.87 -57.77 11.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 123.133 0.573 . . . . 0.0 112.067 -179.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 72.8 tttt -67.93 -67.91 0.43 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.768 0.827 . . . . 0.0 111.702 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -35.69 81.54 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.922 0.889 . . . . 0.0 112.52 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.23 -43.17 1.74 Allowed Glycine 0 C--N 1.342 0.901 0 CA-C-N 118.579 0.627 . . . . 0.0 112.54 174.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.77 135.45 57.48 Favored 'General case' 0 C--N 1.338 0.098 0 C-N-CA 124.136 0.974 . . . . 0.0 111.108 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -90.23 -174.57 4.23 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.128 0.49 . . . . 0.0 111.609 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 81.21 -2.17 82.47 Favored Glycine 0 CA--C 1.535 1.334 0 N-CA-C 110.674 -0.971 . . . . 0.0 110.674 -174.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -160.7 165.81 29.86 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.226 1.411 . . . . 0.0 109.642 176.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -107.56 165.62 11.28 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 124.281 1.033 . . . . 0.0 110.706 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 57.5 ttp -52.18 -37.84 55.94 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 125.086 1.354 . . . . 0.0 110.659 174.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -56.49 -49.23 75.29 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.957 1.703 . . . . 0.0 111.21 174.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -68.61 -53.95 19.52 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.481 1.512 . . . . 0.0 112.028 -178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 8.2 t -27.63 147.77 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 130.394 3.478 . . . . 0.0 116.519 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.7 p -121.62 -16.44 7.74 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.969 2.108 . . . . 0.0 111.401 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -68.9 -101.18 0.0 OUTLIER 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.342 1.857 . . . . 0.0 112.613 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -90.62 65.09 5.89 Favored 'General case' 0 C--N 1.34 0.177 0 C-N-CA 125.387 1.475 . . . . 0.0 109.818 -174.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -74.84 -82.25 0.07 Allowed 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.449 1.1 . . . . 0.0 110.978 -178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -83.18 65.71 8.36 Favored 'General case' 0 C--N 1.341 0.231 0 C-N-CA 124.366 1.066 . . . . 0.0 110.566 -174.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--O 1.251 1.139 0 CA-C-O 117.102 -1.428 . . . . 0.0 108.261 179.832 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . 0.45 " H2'" ' C6 ' ' B' ' 102' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.41 -3.263 1 O4'-C1'-N19 113.376 6.97 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . 0.45 ' C6 ' " H2'" ' B' ' 101' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.537 3.284 0 O4'-C1'-N19 110.865 3.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.816 0 O4'-C4'-C3' 108.308 2.708 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.599 0 P-O3'-C3' 123.801 3.418 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.853 1 O4'-C1'-N19 112.761 6.202 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.752 1 O4'-C1'-N19 112.001 5.251 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.868 2 O4'-C1'-N19 115.677 9.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.158 1 P-O3'-C3' 126.555 5.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 3.21 0 O4'-C1'-N19 110.971 3.963 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.363 3 O4'-C1'-N19 115.096 9.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.684 1 O4'-C1'-N19 113.409 7.011 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 3.857 0 P-O3'-C3' 123.566 3.222 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.709 2 O4'-C1'-N19 112.419 5.774 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.546 2 P-O3'-C3' 126.741 5.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.5 m120 . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 110.724 -0.102 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.77 154.18 37.91 Favored 'Isoleucine or valine' 0 C--N 1.338 0.097 0 C-N-CA 124.699 1.2 . . . . 0.0 110.09 -174.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -115.93 120.36 38.94 Favored 'General case' 0 CA--C 1.522 -0.129 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 173.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.444 ' SG ' ' HB3' ' A' ' 17' ' ' ASN . 37.9 t -60.4 130.72 48.02 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 123.012 0.525 . . . . 0.0 110.882 -177.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -78.57 -33.93 47.31 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.408 1.483 . . . . 0.0 109.847 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.444 ' HB3' ' SG ' ' A' ' 15' ' ' CYS . 54.8 t-20 -67.23 -32.17 73.02 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 126.799 2.039 . . . . 0.0 112.767 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 9.6 p -139.49 -35.7 0.53 Allowed 'General case' 0 C--N 1.347 0.481 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -174.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 119.99 -50.06 0.84 Allowed Glycine 0 C--N 1.343 0.965 0 C-N-CA 124.554 1.074 . . . . 0.0 111.251 -176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -53.23 130.67 35.42 Favored 'General case' 0 C--N 1.343 0.303 0 C-N-CA 124.115 0.966 . . . . 0.0 110.721 -174.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.9 mp0 -73.71 -165.28 0.27 Allowed 'General case' 0 N--CA 1.442 -0.858 0 C-N-CA 125.712 1.605 . . . . 0.0 112.864 -174.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.78 -49.75 2.85 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 125.33 1.443 . . . . 0.0 112.977 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -111.48 163.52 13.94 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 125.287 1.435 . . . . 0.0 113.814 -174.267 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.0 p -102.26 171.49 7.45 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.016 1.726 . . . . 0.0 110.693 175.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -51.7 -35.45 42.88 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 125.171 1.389 . . . . 0.0 114.541 -174.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.41 -44.38 62.54 Favored 'General case' 0 C--N 1.34 0.194 0 CA-C-N 118.496 0.589 . . . . 0.0 112.161 179.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -64.47 -39.77 94.44 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 122.897 0.479 . . . . 0.0 109.928 178.259 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 41.9 t -52.47 121.69 7.49 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.106 0.963 . . . . 0.0 109.993 178.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -79.36 71.81 5.93 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.696 0.798 . . . . 0.0 109.24 179.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -162.83 154.4 15.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 C-N-CA 125.631 1.573 . . . . 0.0 108.394 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -82.09 131.03 6.69 Favored 'Trans proline' 0 N--CA 1.452 -0.963 0 C-N-CA 122.409 2.073 . . . . 0.0 108.322 174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.37 -173.84 4.15 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 122.415 0.286 . . . . 0.0 110.259 -179.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -89.11 -178.31 5.64 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -173.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -89.45 -64.96 1.06 Allowed 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.813 1.245 . . . . 0.0 108.837 178.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -90.12 -164.42 39.87 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 124.375 0.988 . . . . 0.0 113.659 -174.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 49.7 t -49.02 116.7 1.77 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 126.615 1.966 . . . . 0.0 110.394 176.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 10.2 m0 -57.67 -56.24 24.44 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 112.481 0.549 . . . . 0.0 112.481 -178.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -66.96 -70.73 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.15 0.58 . . . . 0.0 110.554 -174.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -33.48 76.15 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.795 0.838 . . . . 0.0 113.19 -175.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 107.25 -44.67 1.43 Allowed Glycine 0 C--N 1.343 0.933 0 CA-C-N 118.654 0.661 . . . . 0.0 112.733 174.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -58.97 136.89 58.06 Favored 'General case' 0 CA--C 1.528 0.116 0 C-N-CA 124.309 1.044 . . . . 0.0 111.756 -174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -93.01 -172.51 3.01 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.317 0.647 . . . . 0.0 111.449 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 73.88 6.76 73.83 Favored Glycine 0 CA--C 1.533 1.207 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.684 -174.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.525 ' CD2' ' HB2' ' A' ' 49' ' ' CYS . 23.0 p-80 -163.52 165.28 23.81 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.502 1.121 . . . . 0.0 110.288 178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -102.98 163.5 12.17 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 124.003 0.921 . . . . 0.0 111.747 -174.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 13.5 tmm? -59.53 -41.99 91.26 Favored 'General case' 0 CA--C 1.531 0.214 0 O-C-N 121.33 -0.856 . . . . 0.0 111.125 175.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -54.86 -51.63 65.32 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.824 0.85 . . . . 0.0 110.873 174.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -57.17 -56.78 17.33 Favored 'General case' 0 CA--C 1.528 0.113 0 C-N-CA 125.389 1.476 . . . . 0.0 111.765 -178.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.525 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 14.4 t -50.04 147.98 3.65 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 128.205 2.602 . . . . 0.0 117.733 -174.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 12.2 t -129.04 -18.53 3.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 127.262 2.225 . . . . 0.0 110.913 174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.421 ' H ' ' CD ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -28.27 -77.53 0.02 OUTLIER 'General case' 0 C--N 1.349 0.557 0 C-N-CA 129.216 3.006 . . . . 0.0 113.831 -174.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 54.26 56.32 7.09 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.65 1.58 . . . . 0.0 110.037 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -84.03 65.75 8.86 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.7 1.2 . . . . 0.0 109.1 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -80.66 68.82 7.02 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 124.423 1.089 . . . . 0.0 110.0 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 . . . . . 0 C--O 1.25 1.108 0 CA-C-O 117.072 -1.442 . . . . 0.0 109.969 178.085 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -2.953 0 O4'-C1'-N19 110.663 3.579 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.482 1 O4'-C1'-N19 111.229 4.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.675 1 O4'-C1'-N19 111.425 4.531 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.525 1 O4'-C1'-N19 111.766 4.957 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.334 1 O4'-C1'-N19 112.781 6.226 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.522 2 O4'-C1'-C2' 100.954 -4.678 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.804 2 O4'-C1'-N19 114.654 8.567 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.877 1 P-O3'-C3' 126.422 5.601 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.54 1 O4'-C1'-N19 111.02 4.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 110' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.552 2 O4'-C1'-N19 114.857 8.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 111' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 3.771 1 O4'-C1'-N19 112.019 5.274 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 112' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.514 0 O4'-C1'-N19 110.943 3.929 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 113' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 2.967 0 O4'-C1'-N19 110.903 3.879 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 114' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 3.343 0 O4'-C1'-N19 109.966 2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_