data_2jx1_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 2jx1 _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 ' 10' ' ' LEU . . . . . 0.579 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.5 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.929 0.395 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 C--O 1.235 0.303 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.414 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.506 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.501 0.191 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.59 0.233 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.499 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 111.372 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' CYS . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.584 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CD2' ' HG ' ' A' ' 12' ' ' CYS . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.757 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.757 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt -80.49 -9.3 59.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.579 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.5 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.405 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.341 -0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C1'-C2' 107.062 0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.092 0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.476 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C4'-C3' 104.813 -0.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 104.789 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.776 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.357 -0.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.776 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 104.723 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.42 H2'' " O5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.82 1.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.567 H2'' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 N19-C1'-C2' 115.691 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.567 ' C5 ' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.754 0 N19-C1'-C2' 116.114 1.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.437 ' C4 ' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.817 0 C4'-C3'-C2' 102.292 -0.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.437 ' C5 ' ' C4 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.918 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.414 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O5'-C5'-C4' 111.602 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.414 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 N19-C1'-C2' 115.741 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.469 H2'' ' N7 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.318 -0.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.469 ' N7 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.141 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.48 ' C6 ' ' HE2' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C4'-C3'-C2' 102.395 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.521 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.969 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.433 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 N19-C1'-C2' 115.908 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.453 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.509 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 N19-C1'-C2' 115.531 0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.509 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.347 -0.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.432 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 N19-C1'-C2' 115.586 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt -87.84 -18.25 29.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.605 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.475 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.462 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.462 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.495 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HB3' ' O6 ' ' B' ' 8' ' ' ' DG' . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.411 ' C4 ' ' C4 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.962 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.457 " H1'" " H5'" ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.062 0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.48 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.741 0 O4'-C1'-C2' 107.097 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.583 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 O4'-C1'-C2' 107.203 1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.629 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.629 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 106.968 0.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.524 ' C6 ' ' H73' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 108.725 1.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.524 ' H73' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.454 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.702 0 N19-C1'-C2' 115.673 0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.454 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.945 0 C4'-C3'-C2' 102.371 -0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 106.923 0.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.483 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.401 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 116.371 1.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.482 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 102.384 -0.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.492 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C4'-C3' 104.838 -0.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.492 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.563 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.386 -0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.524 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 N19-C1'-C2' 116.021 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.524 " H5'" " H1'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.326 -0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.428 ' OP2' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 1.022 0 N19-C1'-C2' 115.779 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.445 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.937 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.962 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 N19-C1'-C2' 115.775 0.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -110.86 -31.36 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.422 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.925 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.872 0 N19-C1'-C2' 115.966 1.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.406 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.375 -0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.408 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C4'-C3' 104.749 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 106.995 0.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.594 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.036 0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.594 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.473 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.848 1.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.473 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.936 0.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.459 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 116.0 1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.459 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.9 0 C4'-C3'-C2' 102.166 -1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.44 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C4'-C3' 104.836 -0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.498 H2'' ' C5 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.498 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 N19-C1'-C2' 116.124 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.007 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.949 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.416 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.502 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.546 ' C6 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 N19-C1'-C2' 115.818 1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.546 ' H71' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.474 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.482 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.728 0 C4'-C3'-C2' 102.197 -1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.838 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.488 ' H73' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.43 -14.95 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.493 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.414 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.433 ' ND2' " H2'" ' B' ' 8' ' ' ' DG' . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.522 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.46 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.422 ' HB3' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.609 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.381 -0.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.967 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.916 0 N19-C1'-C2' 115.809 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.416 ' C8 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.127 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.445 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.164 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.452 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.861 0 O4'-C1'-C2' 107.219 1.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.578 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.446 -0.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.578 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.109 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.418 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 N19-C1'-C2' 116.264 1.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.418 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 106.915 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.438 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.726 0 C4'-C3'-C2' 102.157 -1.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.438 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.146 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.906 0 O4'-C4'-C3' 104.75 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.501 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.431 -0.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 115.804 1.002 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.41 " H1'" " H5'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.41 " H5'" " H1'" ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.053 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.403 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.97 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.434 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.088 0.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 N19-C1'-C2' 116.096 1.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.823 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.411 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.626 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.448 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.767 0 C4'-C3'-C2' 102.314 -0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.967 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.779 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.831 0 O4'-C4'-C3' 104.679 -0.921 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.506 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt -105.75 -7.51 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.307 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.554 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' HE1' ' N6 ' ' C' ' 18' ' ' ' DA' . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.506 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.554 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.581 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.051 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.951 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.237 -0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 1.0 0 O4'-C1'-C2' 107.146 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.403 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.431 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.785 0 C4'-C3'-C2' 102.352 -0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.613 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.887 -0.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.613 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C4'-C3' 104.795 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.495 ' C5 ' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.933 0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.431 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.49 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.49 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.037 0 C4'-C3'-C2' 102.133 -1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.615 0.689 0 C4'-C3'-C2' 102.482 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 102.342 -0.858 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.802 0 N19-C1'-C2' 115.903 1.064 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.575 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.859 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.575 ' C8 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.941 0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.506 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.404 ' O2 ' ' C2 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.405 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 N19-C1'-C2' 115.991 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.46 ' C6 ' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.977 1.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.46 ' H71' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.542 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.839 0 C4'-C3'-C2' 102.263 -0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.896 0 O4'-C4'-C3' 104.716 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.951 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.753 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.435 ' H71' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 N19-C1'-C2' 115.989 1.118 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt -101.64 -7.61 22.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.436 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.563 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.584 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.584 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . 0.456 ' HB3' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.629 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C4'-C3'-C2' 102.339 -0.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.366 -0.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.971 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 N19-C1'-C2' 115.52 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.42 " H1'" " H5'" ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.469 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.776 0 C4'-C3'-C2' 102.38 -0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.567 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.404 -0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.574 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.574 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 106.945 0.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.427 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.957 1.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.427 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 115.894 0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.408 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.812 0 N19-C1'-C2' 115.96 1.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.408 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.844 0 O4'-C4'-C3' 104.784 -0.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.556 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.234 -0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.221 -0.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.418 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.729 0 O4'-C1'-C2' 107.043 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.51 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.51 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.291 -0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.076 0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.451 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.762 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.493 H2'' ' C6 ' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.493 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.861 0 N19-C1'-C2' 115.588 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.496 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.971 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.954 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.774 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.44 " H5'" " H1'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 115.573 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt -88.65 -25.42 22.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.549 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.441 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.5 ' HG ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.508 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.045 0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.896 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.832 0 N19-C1'-C2' 115.907 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.478 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.329 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.478 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.801 0 C4'-C3'-C2' 102.333 -0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C4'-C3' 104.727 -0.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.611 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.031 0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.611 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.409 ' C6 ' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.962 1.101 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.409 ' H72' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.033 0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.459 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 N19-C1'-C2' 116.128 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.459 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.086 0 O4'-C4'-C3' 104.791 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C4'-C3' 104.832 -0.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.534 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.417 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 N19-C1'-C2' 115.91 1.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.819 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.452 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.452 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.551 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 102.443 -0.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.481 ' C6 ' ' H73' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.905 0 N19-C1'-C2' 116.137 1.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.481 ' H73' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.321 -0.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.517 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.517 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.988 0 C4'-C3'-C2' 102.316 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.704 -0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.063 0 C4'-C3'-C2' 102.057 -1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.441 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.78 0 N19-C1'-C2' 115.883 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt -109.13 -2.71 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.372 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.502 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.502 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.493 ' CD2' ' HG ' ' A' ' 12' ' ' CYS . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.505 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.444 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.435 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.444 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.685 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.955 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.391 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.974 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.875 0 O4'-C1'-C2' 107.095 0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.05 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.446 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.879 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.561 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.561 " O5'" H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.508 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 104.835 -0.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.438 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.735 0.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.438 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.26 -0.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 ' C2 ' ' C5 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C4'-C3'-C2' 102.286 -0.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.432 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.804 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.432 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.621 1.19 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.526 " H2'" HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.491 H2'' ' C8 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.687 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.547 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.791 0 C4'-C3'-C2' 102.468 -0.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.547 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.118 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.499 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.284 -0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.467 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.566 ' C6 ' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 N19-C1'-C2' 115.841 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.566 ' H71' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 102.203 -0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.435 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.756 0.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.514 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.247 -0.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.974 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.955 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.454 " H5'" " H1'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.74 0 N19-C1'-C2' 115.545 0.841 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 55.6 mt -107.02 -5.74 17.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.59 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.584 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.431 ' CD1' ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' " H2'" ' B' ' 8' ' ' ' DG' . 6.0 t30 -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.584 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.484 ' CD2' ' HG ' ' A' ' 12' ' ' CYS . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.757 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' HA ' ' N7 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.757 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.431 ' HA ' ' CD1' ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.664 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C4'-C3'-C2' 102.399 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.948 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.783 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 N19-C1'-C2' 116.477 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.735 0 C4'-C3'-C2' 102.374 -0.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.495 H2'' ' C8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.811 0 C4'-C3'-C2' 102.442 -0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.619 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.796 -0.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.619 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.98 0.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.458 ' C5 ' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.432 0.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.406 H2'' ' OP2' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.747 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.406 ' OP2' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.494 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C4'-C3'-C2' 102.188 -1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . 0.494 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.865 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.556 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.291 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.434 ' C4 ' ' O6 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.19 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.656 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.589 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.191 0.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.589 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.761 0 C4'-C3'-C2' 102.344 -0.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.47 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.436 ' C2 ' ' O2 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 N19-C1'-C2' 115.739 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.416 ' C5 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 N19-C1'-C2' 115.81 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.434 " H1'" " H5'" ' C' ' 23' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C1'-C2' 106.982 0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.434 " H5'" " H1'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.025 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.948 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.944 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . 0.469 " H5'" " H1'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 104.768 -0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.24 -8.07 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.449 ' HG1' " H3'" ' B' ' 7' ' ' ' DA' . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.541 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.58 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.504 ' HG ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . 0.415 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.954 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.412 -0.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 N19-C1'-C2' 115.749 0.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C4'-C3'-C2' 102.217 -0.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ' DA' . . . . . 0.458 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.903 0 O4'-C4'-C3' 104.81 -0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ' DA' . . . . . 0.605 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ' DG' . . . . . 0.605 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.542 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 N19-C1'-C2' 115.833 1.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ' DT' . . . . . 0.542 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C5'-C4'-C3' 116.192 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ' DC' . . . . . 0.44 " H1'" " H5'" ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ' DA' . . . . . 0.44 " H5'" " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.85 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C4'-C3' 104.802 -0.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DG' . . . . . 0.549 " O5'" ' H8 ' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.516 0 O5'-C5'-C4' 111.496 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.47 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.423 1.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.466 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.974 0 O4'-C4'-C3' 104.693 -0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . 0.466 ' C6 ' ' C6 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.043 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.459 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.356 -0.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DC' . . . . . 0.541 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 P--O3' 1.616 0.752 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.444 ' OP2' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 N19-C1'-C2' 116.006 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.481 " H1'" " H5'" ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DT' . . . . . 0.493 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.196 -1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ' DC' . . . . . 0.493 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.805 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' ' DG' . . . . . 0.954 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.789 0 C4'-C3'-C2' 102.361 -0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C4'-C3' 104.785 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.929 0.395 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 C--O 1.235 0.303 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.501 0.191 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 37' ' ' PRO . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' A' ' 23' ' ' ILE . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.573 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.595 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.59 0.233 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.557 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.557 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 111.372 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 55.6 mt . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 37' ' ' PRO . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HA ' HD11 ' A' ' 23' ' ' ILE . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt -80.49 -9.3 59.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.47 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.405 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.341 -0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C1'-C2' 107.062 0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.092 0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.476 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C4'-C3' 104.813 -0.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 104.789 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.781 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.357 -0.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.781 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 104.723 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.419 " H2'" ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.82 1.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.573 H2'' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 N19-C1'-C2' 115.691 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.573 ' C5 ' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.754 0 N19-C1'-C2' 116.114 1.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.437 ' C4 ' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.817 0 C4'-C3'-C2' 102.292 -0.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.437 ' C5 ' ' C4 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.918 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.419 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O5'-C5'-C4' 111.602 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.419 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 N19-C1'-C2' 115.741 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.473 H2'' ' N7 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.318 -0.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.501 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.141 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C4'-C3'-C2' 102.395 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.521 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.969 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.437 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 N19-C1'-C2' 115.908 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.526 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.526 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 N19-C1'-C2' 115.531 0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.45 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.347 -0.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.511 ' H72' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 N19-C1'-C2' 115.586 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt -87.84 -18.25 29.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.605 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG21 " H3'" ' B' ' 6' ' ' ' DA' . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.411 ' C4 ' ' C4 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.962 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.062 0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.481 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.741 0 O4'-C1'-C2' 107.097 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 O4'-C1'-C2' 107.203 1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.63 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.63 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 106.968 0.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.452 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 108.725 1.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.452 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.702 0 N19-C1'-C2' 115.673 0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.412 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.945 0 C4'-C3'-C2' 102.371 -0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 106.923 0.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.64 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.404 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 116.371 1.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.482 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 102.384 -0.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.513 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C4'-C3' 104.838 -0.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.513 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.563 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.386 -0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.524 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 N19-C1'-C2' 116.021 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.524 " H5'" " H1'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.326 -0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.444 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 1.022 0 N19-C1'-C2' 115.779 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.446 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.937 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.962 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.579 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 N19-C1'-C2' 115.775 0.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -110.86 -31.36 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.925 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.872 0 N19-C1'-C2' 115.966 1.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.406 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.375 -0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.405 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C4'-C3' 104.749 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 106.995 0.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.599 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.036 0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.599 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.567 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.848 1.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.936 0.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.459 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 116.0 1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.459 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.9 0 C4'-C3'-C2' 102.166 -1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.441 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C4'-C3' 104.836 -0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.738 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.504 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 N19-C1'-C2' 116.124 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.007 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.949 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.416 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.502 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.511 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 N19-C1'-C2' 115.818 1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.568 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.568 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.481 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.728 0 C4'-C3'-C2' 102.197 -1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.838 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.453 ' H72' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.43 -14.95 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' " H2'" ' B' ' 8' ' ' ' DG' . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 32.9 p80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB1' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.621 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.381 -0.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.967 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.916 0 N19-C1'-C2' 115.809 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.413 ' C8 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.127 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.164 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.861 0 O4'-C1'-C2' 107.219 1.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.579 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.446 -0.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.579 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.109 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 N19-C1'-C2' 116.264 1.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.499 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 106.915 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.436 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.726 0 C4'-C3'-C2' 102.157 -1.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.436 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.146 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.906 0 O4'-C4'-C3' 104.75 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.629 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.431 -0.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.418 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 115.804 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.4 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.053 0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.403 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.97 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.434 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.088 0.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.437 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 N19-C1'-C2' 116.096 1.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.55 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.823 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.55 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.626 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.456 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.767 0 C4'-C3'-C2' 102.314 -0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.967 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.779 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.403 ' H72' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.831 0 O4'-C4'-C3' 104.679 -0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt -105.75 -7.51 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.307 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 37' ' ' PRO . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HE1' ' N6 ' ' C' ' 18' ' ' ' DA' . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' A' ' 23' ' ' ILE . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.582 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.051 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.951 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.237 -0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 1.0 0 O4'-C1'-C2' 107.146 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.403 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.431 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.785 0 C4'-C3'-C2' 102.352 -0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.614 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.887 -0.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.614 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C4'-C3' 104.795 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 ' C5 ' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.933 0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.483 ' H71' " H2'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.49 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.49 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.037 0 C4'-C3'-C2' 102.133 -1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.615 0.689 0 C4'-C3'-C2' 102.482 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.483 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 102.342 -0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.45 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.802 0 N19-C1'-C2' 115.903 1.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.577 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.859 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.941 0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.506 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.404 ' O2 ' ' C2 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.636 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 N19-C1'-C2' 115.991 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.636 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.977 1.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.47 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.548 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.839 0 C4'-C3'-C2' 102.263 -0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.896 0 O4'-C4'-C3' 104.716 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.951 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.753 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 N19-C1'-C2' 115.989 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt -101.64 -7.61 22.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB3' ' OP2' ' C' ' 17' ' ' ' DA' . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.595 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB1' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.838 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C4'-C3'-C2' 102.339 -0.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.366 -0.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.971 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 N19-C1'-C2' 115.52 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.4 H2'' ' OP2' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.475 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.776 0 C4'-C3'-C2' 102.38 -0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.404 -0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.572 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.572 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 106.945 0.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.508 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.957 1.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 115.894 0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.416 " H1'" ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.812 0 N19-C1'-C2' 115.96 1.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.416 ' C8 ' " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.844 0 O4'-C4'-C3' 104.784 -0.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.868 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.234 -0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.557 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.221 -0.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.424 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.729 0 O4'-C1'-C2' 107.043 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.51 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.51 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.291 -0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.076 0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.678 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.762 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.678 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.861 0 N19-C1'-C2' 115.588 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.499 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.971 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.954 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.774 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.44 ' H71' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 115.573 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt -88.65 -25.42 22.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.557 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.557 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.508 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.045 0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.896 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.832 0 N19-C1'-C2' 115.907 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.478 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.329 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.478 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.801 0 C4'-C3'-C2' 102.333 -0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C4'-C3' 104.727 -0.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.612 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.031 0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.962 1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.033 0.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.44 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 N19-C1'-C2' 116.128 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.44 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.086 0 O4'-C4'-C3' 104.791 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C4'-C3' 104.832 -0.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.744 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.422 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 N19-C1'-C2' 115.91 1.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.819 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.54 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.54 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.551 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 102.443 -0.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.472 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.905 0 N19-C1'-C2' 116.137 1.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.472 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.321 -0.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.521 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.521 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.988 0 C4'-C3'-C2' 102.316 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.704 -0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.063 0 C4'-C3'-C2' 102.057 -1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.443 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.78 0 N19-C1'-C2' 115.883 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt -109.13 -2.71 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.372 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 " H3'" ' B' ' 6' ' ' ' DA' . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.893 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.955 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.391 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.974 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.875 0 O4'-C1'-C2' 107.095 0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.05 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.449 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.879 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.509 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 104.835 -0.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.542 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.735 0.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.542 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.26 -0.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 ' C2 ' ' C5 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C4'-C3'-C2' 102.286 -0.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.434 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.804 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.621 1.19 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.509 H2'' ' H71' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.509 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.687 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.547 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.791 0 C4'-C3'-C2' 102.468 -0.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.547 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.118 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.507 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.284 -0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.467 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.417 ' C2 ' ' O2 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 N19-C1'-C2' 115.841 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.417 H2'' ' OP2' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 102.203 -0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.438 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.756 0.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.515 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.247 -0.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.974 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.955 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.616 0.74 0 N19-C1'-C2' 115.545 0.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 55.6 mt -107.02 -5.74 17.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB3' " H3'" ' C' ' 16' ' ' ' DG' . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HA ' ' N7 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.881 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C4'-C3'-C2' 102.399 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.948 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.783 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 N19-C1'-C2' 116.477 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.501 ' N7 ' " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.735 0 C4'-C3'-C2' 102.374 -0.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.502 H2'' ' C8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.811 0 C4'-C3'-C2' 102.442 -0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.622 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.796 -0.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.622 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.98 0.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.55 ' C6 ' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.432 0.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.55 ' H72' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.747 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . 0.401 ' OP2' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C4'-C3'-C2' 102.188 -1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.865 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.787 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.291 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.434 ' C4 ' ' O6 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.19 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.656 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.589 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.191 0.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.589 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.761 0 C4'-C3'-C2' 102.344 -0.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.474 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.436 ' C2 ' ' O2 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 N19-C1'-C2' 115.739 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.6 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 N19-C1'-C2' 115.81 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.6 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C1'-C2' 106.982 0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.415 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.025 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.948 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.944 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . 0.422 " H5'" " H1'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 104.768 -0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.24 -8.07 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 37' ' ' PRO . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.541 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HA ' HD11 ' A' ' 23' ' ' ILE . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.419 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.954 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.412 -0.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 N19-C1'-C2' 115.749 0.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C4'-C3'-C2' 102.217 -0.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.903 0 O4'-C4'-C3' 104.81 -0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ' DA' . . . . . 0.605 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ' DG' . . . . . 0.605 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.606 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 N19-C1'-C2' 115.833 1.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ' DT' . . . . . 0.606 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C5'-C4'-C3' 116.192 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.85 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C4'-C3' 104.802 -0.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DG' . . . . . 0.666 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.516 0 O5'-C5'-C4' 111.496 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.477 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.423 1.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.466 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.974 0 O4'-C4'-C3' 104.693 -0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.043 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.356 -0.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DC' . . . . . 0.541 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 P--O3' 1.616 0.752 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.487 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 N19-C1'-C2' 116.006 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.571 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DT' . . . . . 0.571 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.196 -1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.805 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' ' DG' . . . . . 0.954 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.789 0 C4'-C3'-C2' 102.361 -0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C4'-C3' 104.785 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt . . . . . 0 CA--C 1.521 -0.136 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.929 0.395 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.478 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.41 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt . . . . . 0 C--O 1.235 0.303 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.41 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB2' ' CG ' ' A' ' 22' ' ' HIS . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.501 0.191 . . . . 0.0 111.307 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 37' ' ' PRO . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' A' ' 23' ' ' ILE . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.573 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt . . . . . 0 CA--C 1.519 -0.244 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.595 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.59 0.233 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.557 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.557 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.504 ' HB2' ' CD2' ' A' ' 22' ' ' HIS . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt . . . . . 0 CA--C 1.521 -0.158 0 CA-C-O 120.545 0.212 . . . . 0.0 111.372 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 55.6 mt . . . . . 0 C--O 1.233 0.22 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.593 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 37' ' ' PRO . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HA ' HD11 ' A' ' 23' ' ' ILE . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 N--CA 1.482 1.145 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.587 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 78.1 mt -80.49 -9.3 59.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.005 0.431 . . . . 0.0 110.125 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -163.88 152.4 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.771 -0.825 . . . . 0.0 108.771 179.563 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.559 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 12.2 m -56.96 134.28 79.95 Favored Pre-proline 0 C--N 1.328 -0.346 0 O-C-N 123.194 0.308 . . . . 0.0 110.288 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.62 -19.29 52.17 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 123.17 2.58 . . . . 0.0 112.465 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.27 117.94 61.37 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.271 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_exo -52.49 -49.03 18.84 Favored 'Trans proline' 0 CA--C 1.531 0.359 0 C-N-CA 123.24 2.627 . . . . 0.0 113.963 -179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -80.36 -5.61 89.68 Favored Glycine 0 CA--C 1.519 0.308 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.982 -178.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.1 t -87.28 125.19 34.06 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.29 0.545 . . . . 0.0 110.823 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -82.5 -36.97 25.93 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.302 179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 102.3 -10.81 56.76 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.952 -0.642 . . . . 0.0 113.457 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.86 81.21 4.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.192 0.52 . . . . 0.0 110.51 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.7 -173.66 35.06 Favored Glycine 0 N--CA 1.447 -0.622 0 N-CA-C 111.435 -0.666 . . . . 0.0 111.435 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -163.35 162.54 25.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.911 -0.403 . . . . 0.0 109.911 179.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.4 mm -80.39 -63.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 120.939 0.399 . . . . 0.0 110.251 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -35.04 75.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.3 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 102.42 35.14 3.94 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.904 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.78 -11.64 28.61 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.117 0.485 . . . . 0.0 110.443 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 60.1 m-85 -138.87 154.84 48.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.907 -179.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -99.32 -29.66 12.66 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 177.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 56.7 m -158.5 137.51 11.4 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.326 -0.852 . . . . 0.0 109.516 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -143.27 174.47 10.69 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.587 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -135.74 36.47 2.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.7 0.286 . . . . 0.0 110.659 -179.543 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -146.48 -174.87 4.57 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.503 0.192 . . . . 0.0 111.013 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.512 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 23.4 mt -87.16 22.74 1.99 Allowed 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.117 179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.47 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.4 OUTLIER -84.46 72.3 10.64 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.327 -179.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.74 58.12 3.12 Favored Glycine 0 N--CA 1.451 -0.329 0 CA-C-N 115.87 -0.605 . . . . 0.0 113.01 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.512 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 77.4 m -65.09 124.29 86.36 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 120.701 0.286 . . . . 0.0 111.037 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_endo -63.55 -36.33 54.43 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.958 2.439 . . . . 0.0 112.897 -179.125 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.2 79.02 1.7 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.909 -179.547 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.405 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.616 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 C4'-C3'-C2' 102.341 -0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C1'-C2' 107.062 0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.44 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C1'-C2' 107.092 0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.476 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 O4'-C4'-C3' 104.813 -0.787 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 ' C8 ' H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 O4'-C4'-C3' 104.789 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.781 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C4'-C3'-C2' 102.357 -0.843 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.781 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C4'-C3' 104.723 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.419 " H2'" ' H71' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C1'-N19 108.82 1.275 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.573 H2'' ' C5 ' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.845 0 N19-C1'-C2' 115.691 0.932 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.573 ' C5 ' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 P--O3' 1.616 0.754 0 N19-C1'-C2' 116.114 1.196 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.437 ' C4 ' ' C5 ' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.817 0 C4'-C3'-C2' 102.292 -0.908 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.437 ' C5 ' ' C4 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 O4'-C1'-C2' 106.918 0.743 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.419 H2'' ' C6 ' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.576 0 O5'-C5'-C4' 111.602 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.419 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 N19-C1'-C2' 115.741 0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.473 H2'' ' N7 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 C4'-C3'-C2' 102.318 -0.882 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.501 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 O4'-C1'-C2' 107.141 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 C4'-C3'-C2' 102.395 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.521 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 O4'-C1'-C2' 106.969 0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.437 ' C5 ' H2'' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.957 0 N19-C1'-C2' 115.908 1.068 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.526 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.526 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 N19-C1'-C2' 115.531 0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.45 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 C4'-C3'-C2' 102.347 -0.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.681 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.511 ' H72' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 N19-C1'-C2' 115.586 0.866 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 N--CA 1.482 1.126 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 37.5 mt -87.84 -18.25 29.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.605 -179.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.503 ' HA ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER -156.15 153.99 30.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.03 -179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.478 ' SG ' ' HA2' ' A' ' 19' ' ' GLY . 1.5 m -66.33 144.71 98.82 Favored Pre-proline 0 C--N 1.325 -0.494 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.249 179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -62.94 -19.06 68.02 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.721 2.28 . . . . 0.0 112.279 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.7 114.23 28.42 Favored Pre-proline 0 C--N 1.323 -0.547 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.108 179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -59.89 -31.17 93.39 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.946 2.43 . . . . 0.0 113.646 -178.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -84.9 -15.64 67.1 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 120.508 -0.854 . . . . 0.0 112.579 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.415 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 5.1 t -89.51 136.42 33.04 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.094 0.473 . . . . 0.0 110.824 -179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.0 p-10 -87.48 -39.87 14.82 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.878 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.478 ' HA2' ' SG ' ' A' ' 12' ' ' CYS . . . 117.98 -2.89 16.98 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.664 -0.779 . . . . 0.0 113.112 179.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -109.19 126.27 53.09 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.834 0.317 . . . . 0.0 110.161 179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 116.17 -177.31 16.9 Favored Glycine 0 N--CA 1.446 -0.66 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.434 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.41 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 7.6 t-80 -168.45 153.59 6.44 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 HG21 " H3'" ' B' ' 6' ' ' ' DA' . 27.3 mm -69.94 -65.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.788 0.327 . . . . 0.0 110.654 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -33.17 75.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.857 -179.528 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.32 11.72 38.09 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.414 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -75.45 -23.23 56.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.295 0.569 . . . . 0.0 109.657 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 16.8 m-85 -115.0 160.7 19.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.017 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -108.66 -36.76 6.09 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.829 -0.804 . . . . 0.0 108.829 177.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 66.5 m -148.92 141.19 24.07 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.262 178.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 53.2 p-80 -138.6 161.46 37.06 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -179.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.515 ' HD2' ' O ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -134.06 33.91 3.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.046 0.451 . . . . 0.0 110.413 179.74 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.1 p -153.27 -172.0 4.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.684 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 84.3 mt -83.82 40.02 0.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.12 0.486 . . . . 0.0 110.588 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.434 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.4 OUTLIER -102.39 85.66 2.66 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.058 -179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 72.28 55.26 7.07 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.772 179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 39' ' ' ALA . 97.3 m -81.38 115.76 58.6 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-O 120.53 0.205 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.34 -16.94 24.5 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.397 2.064 . . . . 0.0 111.596 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.7 OUTLIER -120.67 49.66 1.43 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.681 179.579 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.418 ' HB2' ' HB2' ' A' ' 36' ' ' CYS . . . . . . . . 0 C--O 1.25 1.093 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.664 -179.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.411 ' C4 ' ' C4 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.72 0 C4'-C3'-C2' 102.379 -0.821 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.962 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 O4'-C1'-C2' 107.172 0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.448 ' C6 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.02 0 O4'-C1'-C2' 107.062 0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.481 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.741 0 O4'-C1'-C2' 107.097 0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.577 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 O4'-C1'-C2' 107.203 1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.63 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 106.927 0.752 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.63 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 O4'-C1'-C2' 106.968 0.789 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.452 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 O4'-C1'-N19 108.725 1.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.452 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.335 -0.865 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.615 0.702 0 N19-C1'-C2' 115.673 0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.412 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.945 0 C4'-C3'-C2' 102.371 -0.829 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O4'-C1'-C2' 106.923 0.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.64 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.404 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 N19-C1'-C2' 116.371 1.357 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.482 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.782 0 C4'-C3'-C2' 102.384 -0.816 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.513 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 O4'-C4'-C3' 104.838 -0.762 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.513 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.563 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.797 0 C4'-C3'-C2' 102.386 -0.814 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.524 " H1'" " H5'" ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.993 0 N19-C1'-C2' 116.021 1.138 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.524 " H5'" " H1'" ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C4'-C3'-C2' 102.326 -0.874 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.444 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 1.022 0 N19-C1'-C2' 115.779 0.987 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.446 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.937 0 C4'-C3'-C2' 102.349 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.962 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C4'-C3'-C2' 102.351 -0.849 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.579 ' H71' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.947 0 N19-C1'-C2' 115.775 0.985 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 49.0 mt -110.86 -31.36 7.19 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.973 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -170.18 156.39 5.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.984 -179.822 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.432 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.8 m -59.98 140.75 90.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.485 179.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -60.67 -17.88 52.03 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 123.124 2.549 . . . . 0.0 112.982 -179.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.16 115.21 40.62 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.534 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.28 -35.31 92.07 Favored 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 122.819 2.346 . . . . 0.0 112.611 -179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -5.69 89.25 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.919 -0.657 . . . . 0.0 112.557 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.42 ' HA ' ' HB2' ' A' ' 38' ' ' ARG . 49.9 t -93.78 131.2 39.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.874 0.369 . . . . 0.0 110.684 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -81.52 -36.91 28.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.937 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 111.79 -0.31 27.37 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.544 -0.836 . . . . 0.0 113.727 178.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.73 136.55 53.89 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 117.244 0.522 . . . . 0.0 110.54 179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.27 -176.53 17.96 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.119 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -167.04 145.07 4.91 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 110.478 -0.194 . . . . 0.0 110.478 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 44.9 mm -66.99 -50.47 64.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.966 0.412 . . . . 0.0 110.349 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -40.9 39.55 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.61 29.41 5.33 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.939 -0.648 . . . . 0.0 111.937 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -100.05 -17.02 17.69 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.212 0.53 . . . . 0.0 109.721 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.502 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 15.4 m-85 -121.69 143.58 49.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.676 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.38 -33.05 13.31 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 121.553 0.692 . . . . 0.0 109.206 178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 49.5 m -155.4 148.36 24.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.38 179.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.7 p-80 -150.34 165.43 33.07 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.073 -0.343 . . . . 0.0 110.073 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -127.84 23.09 6.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.981 0.419 . . . . 0.0 110.562 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.0 p -144.58 -178.76 6.16 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.476 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.41 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.2 mt -82.39 64.0 6.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.581 -179.494 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.437 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.5 OUTLIER -121.66 85.46 2.41 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.694 0.283 . . . . 0.0 110.494 179.621 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 67.77 45.33 75.98 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.624 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.41 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 73.5 m -66.72 126.02 91.63 Favored Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 120.47 0.176 . . . . 0.0 111.004 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -64.27 -31.63 63.13 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.535 2.157 . . . . 0.0 111.611 179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.42 ' HB2' ' HA ' ' A' ' 17' ' ' CYS . 0.8 OUTLIER -115.57 103.96 11.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.553 179.112 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.304 -179.549 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.536 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.925 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.969 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.872 0 N19-C1'-C2' 115.966 1.104 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.406 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C4'-C3'-C2' 102.375 -0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.405 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C4'-C3' 104.749 -0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.494 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.741 0 O4'-C1'-C2' 106.995 0.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.599 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 O4'-C1'-C2' 107.036 0.851 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.599 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 O4'-C1'-C2' 107.014 0.831 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.567 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 N19-C1'-C2' 115.848 1.03 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.567 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 O4'-C1'-C2' 106.936 0.76 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.459 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 116.0 1.125 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.459 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.9 0 C4'-C3'-C2' 102.166 -1.034 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.441 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.775 0 O4'-C4'-C3' 104.836 -0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.738 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.695 0 C4'-C3'-C2' 102.27 -0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.504 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 N19-C1'-C2' 116.124 1.203 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.462 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 O4'-C1'-C2' 107.007 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.462 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.949 0 C4'-C3'-C2' 102.405 -0.795 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.416 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.502 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 C4'-C3'-C2' 102.289 -0.911 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.511 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.962 0 N19-C1'-C2' 115.818 1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.568 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.568 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.481 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.728 0 C4'-C3'-C2' 102.197 -1.003 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.969 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.838 0 O4'-C1'-C2' 107.049 0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 O4'-C1'-C2' 107.109 0.917 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.453 ' H72' ' C8 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.773 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.481 1.077 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.5 mt -93.43 -14.95 26.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.707 0.289 . . . . 0.0 110.689 -179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -159.43 157.33 29.98 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.492 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.5 m -63.95 135.05 96.14 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 178.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_endo -55.06 -27.38 54.87 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 123.059 2.506 . . . . 0.0 112.492 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.2 116.14 22.92 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.652 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.94 -37.21 96.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.947 2.431 . . . . 0.0 112.992 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -82.58 -3.53 90.48 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.472 -0.87 . . . . 0.0 113.261 -179.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 15.4 t -95.56 134.84 37.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.998 0.427 . . . . 0.0 111.223 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -96.96 -23.74 16.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.162 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 92.13 15.35 54.15 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.857 -0.611 . . . . 0.0 113.817 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.4 118.05 32.12 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 117.494 0.647 . . . . 0.0 110.212 179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 114.69 -160.73 13.04 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.677 -0.773 . . . . 0.0 111.942 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.42 ' CG ' ' HB2' ' A' ' 27' ' ' TYR . 2.8 t-80 -170.42 163.34 8.55 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 110.239 -0.282 . . . . 0.0 110.239 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.8 mm -80.53 -54.28 10.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.948 0.404 . . . . 0.0 110.543 179.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -74.5 -25.38 59.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.026 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.03 39.07 5.56 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.828 -0.701 . . . . 0.0 111.75 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.429 ' ND2' " H2'" ' B' ' 8' ' ' ' DG' . 58.5 t30 -116.56 8.05 13.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.968 0.413 . . . . 0.0 110.569 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 18.8 m-85 -140.18 148.51 41.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.16 0.505 . . . . 0.0 111.75 -178.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -103.12 -35.62 8.43 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.259 177.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 70.7 m -153.12 139.17 18.23 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.385 179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 37.9 p-80 -148.89 154.69 39.82 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.985 -0.746 . . . . 0.0 108.985 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.416 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 4.4 mmp_? -126.59 44.44 2.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.3 p -158.52 -173.76 4.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.127 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.534 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 82.1 mt -83.21 24.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.826 0.346 . . . . 0.0 111.4 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.466 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.02 72.52 10.81 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.973 0.416 . . . . 0.0 111.149 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.54 59.63 2.34 Favored Glycine 0 C--N 1.334 0.427 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.919 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 99.1 m -76.57 115.65 49.54 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.584 0.192 . . . . 0.0 111.485 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -64.09 -24.91 66.09 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.755 2.303 . . . . 0.0 112.179 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.02 95.29 4.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.798 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.431 ' HB1' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.355 -0.831 . . . . 0.0 110.589 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.621 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.31 -0.89 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.381 -0.819 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.967 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.916 0 N19-C1'-C2' 115.809 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.413 ' C8 ' H2'' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 O4'-C1'-C2' 107.127 0.934 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.443 H2'' ' OP2' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 107.164 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.51 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.861 0 O4'-C1'-C2' 107.219 1.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.579 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.446 -0.754 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.579 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.757 0 O4'-C1'-C2' 107.109 0.918 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 N19-C1'-C2' 116.264 1.29 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.499 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 O4'-C1'-C2' 106.915 0.741 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.436 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.726 0 C4'-C3'-C2' 102.157 -1.043 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.436 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.146 0 C4'-C3'-C2' 102.299 -0.901 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.618 0.906 0 O4'-C4'-C3' 104.75 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.629 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.791 0 C4'-C3'-C2' 102.431 -0.769 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.418 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 N19-C1'-C2' 115.804 1.002 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.4 ' C2 ' ' C2 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 O4'-C1'-C2' 107.078 0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C1'-C2' 107.053 0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.403 H2'' ' OP2' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.732 0 O4'-C1'-C2' 106.97 0.791 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.434 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 O4'-C1'-C2' 107.088 0.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.437 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.945 0 N19-C1'-C2' 116.096 1.185 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.55 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.823 0 C4'-C3'-C2' 102.372 -0.828 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.55 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.626 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.456 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.767 0 C4'-C3'-C2' 102.314 -0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.967 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.779 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.403 ' H72' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.831 0 O4'-C4'-C3' 104.679 -0.921 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 N--CA 1.483 1.203 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.518 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 81.8 mt -105.75 -7.51 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.772 -0.195 . . . . 0.0 111.307 -179.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -173.6 159.18 3.53 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.555 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.7 m -63.24 141.19 97.77 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.426 178.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -65.03 -24.36 60.01 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.84 2.36 . . . . 0.0 112.789 -179.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.1 117.11 36.31 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.399 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -60.06 -33.73 95.12 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 123.049 2.499 . . . . 0.0 112.575 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.53 10.31 67.6 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.713 179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 12.0 t -117.59 128.13 54.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.019 0.438 . . . . 0.0 110.32 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -82.82 -30.55 28.67 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.116 179.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.85 11.81 54.21 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 121.008 -0.615 . . . . 0.0 113.445 178.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.2 m -112.97 80.43 1.35 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 117.282 0.541 . . . . 0.0 110.744 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 160.92 -173.29 37.38 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.878 -0.677 . . . . 0.0 111.8 179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -165.34 153.08 11.08 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.417 HD11 ' HA ' ' A' ' 37' ' ' PRO . 26.7 mm -76.08 -59.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.528 -0.306 . . . . 0.0 110.596 179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -36.22 75.56 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.127 0.489 . . . . 0.0 110.635 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.75 39.14 3.23 Favored Glycine 0 N--CA 1.445 -0.759 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.898 179.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -90.77 -25.98 19.7 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.808 -0.441 . . . . 0.0 109.808 179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.434 ' HE1' ' N6 ' ' C' ' 18' ' ' ' DA' . 1.9 m-85 -133.48 156.17 48.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.52 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -94.84 -15.35 23.79 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.8 m -159.15 145.08 16.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.168 -0.924 . . . . 0.0 109.886 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -147.62 168.87 20.91 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.518 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -127.88 31.35 5.13 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.686 0.279 . . . . 0.0 110.662 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.0 p -148.91 -178.34 6.3 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.619 -179.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.563 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 88.1 mt -79.77 2.9 21.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.547 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.97 85.48 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.759 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.21 35.38 30.29 Favored Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.868 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.563 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.3 m -59.03 117.11 18.68 Favored Pre-proline 0 C--N 1.332 -0.164 0 CA-C-O 120.819 0.343 . . . . 0.0 111.301 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HA ' HD11 ' A' ' 23' ' ' ILE . 72.5 Cg_endo -78.31 -12.41 15.66 Favored 'Trans proline' 0 N--CA 1.463 -0.272 0 C-N-CA 122.442 2.095 . . . . 0.0 112.52 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.08 62.7 1.61 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.181 0.515 . . . . 0.0 110.285 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.282 0 CA-C-O 118.749 -0.643 . . . . 0.0 110.771 -179.733 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.582 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.722 0 O4'-C1'-C2' 107.051 0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.951 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 102.237 -0.963 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.619 1.0 0 O4'-C1'-C2' 107.146 0.951 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.403 ' N1 ' ' C2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.431 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.785 0 C4'-C3'-C2' 102.352 -0.848 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.614 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.776 0 O4'-C4'-C3' 104.887 -0.713 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.614 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.774 0 O4'-C4'-C3' 104.795 -0.805 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.499 ' C5 ' H2'' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 O4'-C1'-C2' 106.933 0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.483 ' H71' " H2'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.886 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.49 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.864 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.49 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.037 0 C4'-C3'-C2' 102.133 -1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.615 0.689 0 C4'-C3'-C2' 102.482 -0.718 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.483 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 102.342 -0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.45 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.802 0 N19-C1'-C2' 115.903 1.064 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.577 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.859 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.577 ' C8 ' H2'' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 O4'-C1'-C2' 106.941 0.764 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.506 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.752 0 C4'-C3'-C2' 102.305 -0.895 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.404 ' O2 ' ' C2 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.142 0.947 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.636 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 N19-C1'-C2' 115.991 1.119 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.636 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 N19-C1'-C2' 115.977 1.11 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.47 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.903 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.548 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.839 0 C4'-C3'-C2' 102.263 -0.937 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.896 0 O4'-C4'-C3' 104.716 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.951 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.753 0 O4'-C1'-C2' 107.0 0.818 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.431 -0.593 0 N19-C1'-C2' 115.989 1.118 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.0 t0 . . . . . 0 N--CA 1.482 1.163 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.573 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 23.7 mt -101.64 -7.61 22.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.647 0.26 . . . . 0.0 110.917 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.1 OUTLIER -169.79 148.58 3.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.42 179.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 6.3 m -62.21 137.53 95.86 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.301 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.73 -22.79 69.23 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.156 2.57 . . . . 0.0 112.563 -179.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.89 119.19 67.86 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.82 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_exo -65.0 -25.26 59.34 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.877 2.384 . . . . 0.0 112.629 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -94.17 4.23 70.56 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.451 -0.881 . . . . 0.0 112.592 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.4 t -105.82 121.93 45.07 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.829 0.347 . . . . 0.0 110.526 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -78.77 -46.22 19.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.439 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.445 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 112.92 -8.94 25.44 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.649 -0.786 . . . . 0.0 113.499 179.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.45 91.96 5.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.28 0.54 . . . . 0.0 110.463 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 148.75 -176.36 27.58 Favored Glycine 0 N--CA 1.444 -0.782 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.47 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.47 ' CD2' ' HD2' ' A' ' 27' ' ' TYR . 13.7 t-80 -165.38 143.71 6.17 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 179.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 33.6 mm -61.65 -49.11 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.934 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.13 -18.89 37.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.115 0.483 . . . . 0.0 110.806 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.18 25.97 42.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.655 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -90.48 -10.86 42.11 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.765 0.317 . . . . 0.0 110.798 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.47 ' HD2' ' CD2' ' A' ' 22' ' ' HIS . 67.1 m-85 -135.83 157.74 46.11 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.089 0.471 . . . . 0.0 111.087 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HB3' ' OP2' ' C' ' 17' ' ' ' DA' . . . -110.34 -20.14 12.73 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.497 178.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.445 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 49.6 m -158.56 128.65 5.93 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.674 179.476 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -142.49 168.32 20.0 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 178.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.573 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -131.76 30.63 4.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.86 0.362 . . . . 0.0 110.76 -179.261 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 12.6 p -143.76 -178.58 5.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.649 -179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.595 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 96.1 mt -83.67 16.02 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.02 0.438 . . . . 0.0 110.732 179.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.99 76.66 2.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.054 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.95 43.63 8.74 Favored Glycine 0 N--CA 1.45 -0.433 0 CA-C-N 115.976 -0.556 . . . . 0.0 113.344 178.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.595 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 33.6 m -59.73 121.83 60.68 Favored Pre-proline 0 N--CA 1.464 0.266 0 CA-C-N 116.745 0.272 . . . . 0.0 111.01 179.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -70.01 -23.1 30.03 Favored 'Trans proline' 0 CA--C 1.53 0.307 0 C-N-CA 122.653 2.236 . . . . 0.0 112.684 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.63 75.9 1.69 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.11 0.481 . . . . 0.0 110.158 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.464 ' HB1' ' OP1' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 C--O 1.248 1.022 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.706 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.838 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.582 0 C4'-C3'-C2' 102.339 -0.861 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.972 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.794 0 C4'-C3'-C2' 102.366 -0.834 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.971 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 N19-C1'-C2' 115.52 0.825 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.4 H2'' ' OP2' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.725 0 C4'-C3'-C2' 102.311 -0.889 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.475 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.776 0 C4'-C3'-C2' 102.38 -0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.562 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C4'-C3'-C2' 102.404 -0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.572 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.696 0 C4'-C3'-C2' 102.425 -0.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.572 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 O4'-C1'-C2' 106.945 0.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.508 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 N19-C1'-C2' 115.957 1.098 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.508 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C5'-C4'-C3' 115.894 0.796 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.416 " H1'" ' C8 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.812 0 N19-C1'-C2' 115.96 1.1 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.416 ' C8 ' " H1'" ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.924 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.844 0 O4'-C4'-C3' 104.784 -0.816 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.868 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C4'-C3'-C2' 102.234 -0.966 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.557 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C4'-C3'-C2' 102.221 -0.979 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.424 H2'' ' C8 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.729 0 O4'-C1'-C2' 107.043 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.51 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 O4'-C1'-C2' 107.081 0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.51 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.743 0 C4'-C3'-C2' 102.291 -0.909 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.749 0 O4'-C1'-C2' 107.076 0.888 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.678 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 N19-C1'-C2' 115.762 0.976 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.678 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.736 0 C4'-C3'-C2' 102.312 -0.888 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.495 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.861 0 N19-C1'-C2' 115.588 0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.499 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 102.225 -0.975 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.971 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.954 0 C4'-C3'-C2' 102.298 -0.902 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.972 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.774 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.44 ' H71' " C2'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.714 0 N19-C1'-C2' 115.573 0.858 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 t0 . . . . . 0 N--CA 1.481 1.089 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 73.2 mt -88.65 -25.42 22.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.557 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.8 OUTLIER -165.12 157.95 16.2 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 -179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.557 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 5.6 m -58.95 141.46 85.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 110.293 -0.262 . . . . 0.0 110.293 179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.64 -12.1 34.49 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.778 2.319 . . . . 0.0 112.546 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 117.39 67.95 Favored Pre-proline 0 N--CA 1.446 -0.647 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.442 179.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.87 -46.64 32.36 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.054 2.503 . . . . 0.0 112.843 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.13 14.06 41.15 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.585 -0.817 . . . . 0.0 113.853 -178.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.554 ' SG ' ' HB3' ' A' ' 36' ' ' CYS . 42.9 t -118.89 127.74 53.78 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 117.485 0.642 . . . . 0.0 110.837 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -83.87 -43.11 15.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.609 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' ' HA ' ' A' ' 29' ' ' SER . . . 119.0 -17.08 10.79 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.561 -0.828 . . . . 0.0 113.244 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.93 104.09 16.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 117.066 0.433 . . . . 0.0 110.599 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 136.26 -176.8 20.06 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.882 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.504 ' CD2' ' HB2' ' A' ' 27' ' ' TYR . 3.7 t-80 -165.11 156.47 14.72 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.3 mm -73.9 -62.42 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.99 -29.78 66.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.156 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.38 36.27 5.71 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.206 179.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -106.24 -5.47 19.18 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.33 0.586 . . . . 0.0 110.248 -179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 10.7 m-85 -129.09 156.3 44.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.373 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -105.49 -42.86 5.11 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.349 178.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.453 ' HA ' ' O ' ' A' ' 19' ' ' GLY . 22.5 m -153.45 131.73 11.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.026 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -135.23 171.34 14.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.027 179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -129.94 16.83 5.7 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 111.571 0.211 . . . . 0.0 111.571 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 88.5 p -138.45 -178.64 5.38 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.769 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.7 mt -81.96 61.21 5.16 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.21 0.529 . . . . 0.0 110.748 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.414 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.5 OUTLIER -117.68 69.21 0.77 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.419 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.53 53.15 4.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.768 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 67.0 m -67.76 128.37 93.44 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 120.463 0.173 . . . . 0.0 110.782 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.23 -18.6 56.09 Favored 'Trans proline' 0 C--N 1.352 0.727 0 C-N-CA 122.774 2.316 . . . . 0.0 112.643 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -128.91 88.17 2.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.041 0.448 . . . . 0.0 110.196 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.231 -179.72 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.508 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 O4'-C1'-C2' 107.045 0.859 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.896 0 C4'-C3'-C2' 102.278 -0.922 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.832 0 N19-C1'-C2' 115.907 1.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.478 ' C5 ' ' C6 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.705 0 C4'-C3'-C2' 102.329 -0.871 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.478 ' C6 ' ' C5 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 P--O3' 1.617 0.801 0 C4'-C3'-C2' 102.333 -0.867 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.466 ' C6 ' ' N6 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.971 0 O4'-C4'-C3' 104.727 -0.873 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.612 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.647 0 O4'-C1'-C2' 107.031 0.846 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.612 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.726 0 O4'-C1'-C2' 107.004 0.822 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 N19-C1'-C2' 115.962 1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C1'-C2' 107.033 0.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.44 H2'' ' OP2' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.83 0 N19-C1'-C2' 116.128 1.205 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.44 ' OP2' H2'' ' B' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.086 0 O4'-C4'-C3' 104.791 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 O4'-C4'-C3' 104.832 -0.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.744 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.563 0 O4'-C1'-C2' 107.026 0.842 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.422 ' C6 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.839 0 N19-C1'-C2' 115.91 1.069 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.819 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.54 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 O4'-C1'-C2' 107.183 0.984 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.54 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 102.336 -0.864 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.551 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.426 -0.898 0 C4'-C3'-C2' 102.443 -0.757 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.472 H2'' ' H71' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.618 0.905 0 N19-C1'-C2' 116.137 1.211 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.472 ' H71' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C4'-C3'-C2' 102.321 -0.879 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.521 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.846 0 C4'-C3'-C2' 102.154 -1.046 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.521 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.619 0.988 0 C4'-C3'-C2' 102.316 -0.884 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.814 0 O4'-C4'-C3' 104.704 -0.896 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.063 0 C4'-C3'-C2' 102.057 -1.143 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.443 ' OP2' H2'' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.78 0 N19-C1'-C2' 115.883 1.052 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.2 t0 . . . . . 0 N--CA 1.482 1.173 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.523 ' O ' ' HD3' ' A' ' 31' ' ' ARG . 19.4 mt -109.13 -2.71 17.87 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.64 -0.255 . . . . 0.0 111.372 -179.258 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.3 OUTLIER -170.83 147.26 2.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 2.0 m -58.78 134.63 86.64 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 123.337 0.398 . . . . 0.0 110.147 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.89 -30.01 66.45 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.905 2.403 . . . . 0.0 112.543 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -64.48 116.08 25.52 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.122 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -62.8 -25.38 74.67 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.745 2.297 . . . . 0.0 112.472 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -83.8 -12.36 77.54 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.811 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -102.82 142.68 33.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 117.077 0.439 . . . . 0.0 110.861 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 14.9 p-10 -94.05 -36.34 12.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 107.42 28.48 4.85 Favored Glycine 0 C--O 1.236 0.247 0 C-N-CA 120.735 -0.745 . . . . 0.0 113.671 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.0 m -117.72 145.88 44.14 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 117.175 0.488 . . . . 0.0 110.238 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 79.01 -155.5 40.69 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 121.072 -0.585 . . . . 0.0 112.869 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 25.9 t-80 -173.6 155.82 2.82 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.472 HG21 " H3'" ' B' ' 6' ' ' ' DA' . 34.6 mm -64.15 -58.6 6.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.975 0.417 . . . . 0.0 110.618 179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.16 -28.26 57.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.934 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.33 21.89 16.2 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.882 179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.79 -8.21 59.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.141 0.496 . . . . 0.0 110.596 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.467 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 46.2 m-85 -138.41 163.29 32.27 Favored 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.045 0.45 . . . . 0.0 111.402 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -110.81 -27.96 8.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 108.968 177.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 m -145.43 133.16 21.06 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.855 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.2 p-80 -138.18 156.17 47.98 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 10' ' ' LEU . 1.8 mmp_? -129.15 22.9 5.64 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.791 0.329 . . . . 0.0 110.634 -179.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.2 p -141.83 -176.62 4.84 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.642 -179.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 64.4 mt -83.01 24.66 0.75 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.765 0.317 . . . . 0.0 111.229 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' N6 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -85.43 76.22 10.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.963 0.411 . . . . 0.0 110.712 179.728 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.39 62.97 2.1 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.976 -0.63 . . . . 0.0 113.349 179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.455 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 91.2 m -84.0 117.03 67.63 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 120.431 0.158 . . . . 0.0 110.843 179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -68.2 -29.06 33.3 Favored 'Trans proline' 0 C--N 1.349 0.57 0 C-N-CA 122.599 2.199 . . . . 0.0 111.888 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.45 76.69 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 178.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.913 0 CA-C-O 118.482 -0.77 . . . . 0.0 110.691 -179.413 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.893 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.801 0 O4'-C1'-C2' 107.022 0.838 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.955 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C4'-C3'-C2' 102.391 -0.809 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.974 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.875 0 O4'-C1'-C2' 107.095 0.904 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 O4'-C1'-C2' 107.05 0.864 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.449 H2'' ' C8 ' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.879 0 O4'-C1'-C2' 107.08 0.891 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.554 H2'' " O5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.554 " O5'" H2'' ' B' ' 6' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 102.423 -0.777 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.509 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 O4'-C4'-C3' 104.835 -0.765 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.542 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.844 0 N19-C1'-C2' 115.735 0.96 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.542 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.677 0 C4'-C3'-C2' 102.26 -0.94 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.412 ' C2 ' ' C5 ' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.842 0 C4'-C3'-C2' 102.286 -0.914 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.434 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.804 0 C4'-C3'-C2' 102.168 -1.032 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.434 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.621 1.19 0 O4'-C1'-C2' 107.002 0.82 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.509 H2'' ' H71' ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.509 ' H71' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.874 0 N19-C1'-C2' 115.687 0.93 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.547 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.791 0 C4'-C3'-C2' 102.468 -0.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.547 ' C6 ' ' C5 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.913 0 O4'-C1'-C2' 107.118 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.507 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.803 0 C4'-C3'-C2' 102.284 -0.916 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.467 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 O4'-C1'-C2' 107.018 0.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.417 ' C2 ' ' O2 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 N19-C1'-C2' 115.841 1.025 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.417 H2'' ' OP2' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 C4'-C3'-C2' 102.203 -0.997 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.438 H2'' ' OP2' ' C' ' 23' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 N19-C1'-C2' 115.756 0.973 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.515 H2'' ' C8 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 102.247 -0.953 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.974 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 C4'-C3'-C2' 102.28 -0.92 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.955 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.768 0 C4'-C3'-C2' 102.258 -0.942 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.616 0.74 0 N19-C1'-C2' 115.545 0.841 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.1 t70 . . . . . 0 N--CA 1.484 1.226 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 31' ' ' ARG . 55.6 mt -107.02 -5.74 17.92 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.926 0.393 . . . . 0.0 110.678 -179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.6 OUTLIER -155.26 154.7 32.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.879 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.593 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -60.93 126.86 86.64 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.637 179.458 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 12' ' ' CYS . 41.5 Cg_exo -57.38 -28.67 81.3 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.53 119.11 44.0 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.183 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.43 -23.83 77.41 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.961 2.441 . . . . 0.0 112.862 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -90.71 6.78 81.98 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.403 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 83.9 m -111.93 117.48 32.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.043 0.449 . . . . 0.0 110.127 179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.9 p-10 -73.85 -40.45 63.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.079 -179.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' SER . . . 115.03 16.31 7.37 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.444 -0.884 . . . . 0.0 113.888 179.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -125.85 148.4 49.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 117.364 0.582 . . . . 0.0 110.058 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 84.66 165.9 40.47 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.419 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 -152.23 160.0 43.45 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.588 HD11 ' HA ' ' A' ' 37' ' ' PRO . 22.4 mm -79.4 -62.52 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.701 0.286 . . . . 0.0 110.995 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.53 -30.44 67.18 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 0.0 111.254 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.43 21.83 30.92 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.0 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.43 ' ND2' " H2'" ' B' ' 8' ' ' ' DG' . 6.0 t30 -85.93 -10.71 54.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.338 0.589 . . . . 0.0 109.526 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -131.09 155.09 47.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.323 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.533 ' HB3' " H3'" ' C' ' 16' ' ' ' DG' . . . -89.67 -23.51 21.85 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.439 0.638 . . . . 0.0 110.042 178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.591 ' HB3' ' O ' ' A' ' 19' ' ' GLY . 23.7 m -152.69 110.67 3.64 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.252 179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 44.3 p-80 -64.12 149.66 47.23 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.391 179.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 11' ' ' LYS . 1.4 mmt180 -139.86 17.61 2.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.858 0.361 . . . . 0.0 111.971 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.2 p -168.49 -165.94 0.63 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.764 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 59.2 mt -78.06 7.09 6.64 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.235 0.54 . . . . 0.0 110.334 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.454 ' HA ' ' N7 ' ' B' ' 7' ' ' ' DA' . 0.5 OUTLIER -80.64 64.81 5.56 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.34 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.17 59.01 1.41 Allowed Glycine 0 C--N 1.333 0.372 0 C-N-CA 121.134 -0.555 . . . . 0.0 113.721 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.764 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 1.9 m -81.37 123.3 81.37 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-N 117.097 0.449 . . . . 0.0 110.436 179.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.588 ' HA ' HD11 ' A' ' 23' ' ' ILE . 55.7 Cg_endo -71.12 -17.41 31.54 Favored 'Trans proline' 0 CA--C 1.53 0.295 0 C-N-CA 122.627 2.218 . . . . 0.0 112.375 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -124.19 75.08 1.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.061 0.458 . . . . 0.0 110.019 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.432 -0.794 . . . . 0.0 110.138 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.881 ' H8 ' HO5' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.621 0 C4'-C3'-C2' 102.399 -0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.948 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.616 0.783 0 C4'-C3'-C2' 102.401 -0.799 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 N19-C1'-C2' 116.477 1.423 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.501 ' N7 ' " H1'" ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.735 0 C4'-C3'-C2' 102.374 -0.826 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.441 ' C6 ' ' C6 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 102.345 -0.855 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.502 H2'' ' C8 ' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.811 0 C4'-C3'-C2' 102.442 -0.758 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.622 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.772 0 O4'-C4'-C3' 104.796 -0.804 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.622 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 O4'-C1'-C2' 106.98 0.8 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.55 ' C6 ' ' H72' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.922 0 N19-C1'-C2' 115.432 0.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.55 ' H72' ' C6 ' ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.894 0 N19-C1'-C2' 115.747 0.967 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . 0.401 ' OP2' H2'' ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.346 -0.854 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . 0.496 H2'' ' OP2' ' B' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C4'-C3'-C2' 102.188 -1.012 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' B' ' 12' ' ' ' DA' . . . . . . . . 0 P--O3' 1.617 0.865 0 O4'-C1'-C2' 107.075 0.886 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.787 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.676 0 O5'-C5'-C4' 111.291 0.779 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.434 ' C4 ' ' O6 ' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.788 0 N19-C1'-C2' 116.19 1.244 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.552 ' C5 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.656 0 C4'-C3'-C2' 102.37 -0.83 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.589 ' C4 ' ' N7 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.661 0 O4'-C1'-C2' 107.191 0.992 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.589 ' N7 ' ' C4 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.616 0.761 0 C4'-C3'-C2' 102.344 -0.856 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.474 ' OP2' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 C4'-C3'-C2' 102.276 -0.924 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.436 ' C2 ' ' O2 ' ' C' ' 19' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.858 0 N19-C1'-C2' 115.739 0.962 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.6 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 N19-C1'-C2' 115.81 1.006 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.6 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.869 0 O4'-C1'-C2' 106.982 0.801 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.415 H2'' ' OP2' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.779 0 C4'-C3'-C2' 102.322 -0.878 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 1.025 0 C4'-C3'-C2' 102.274 -0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.948 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.944 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . 0.422 " H5'" " H1'" ' C' ' 25' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 O4'-C4'-C3' 104.768 -0.832 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 . . . . . 0 N--CA 1.485 1.322 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.0 mt -85.24 -8.07 58.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.039 0.447 . . . . 0.0 110.913 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 12' ' ' CYS . 0.0 OUTLIER -154.58 148.48 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.32 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.1 m -64.36 142.94 98.44 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.474 179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.63 -17.94 52.04 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 123.163 2.575 . . . . 0.0 112.241 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -76.16 118.42 71.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 178.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.3 -42.02 45.5 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.978 2.452 . . . . 0.0 113.625 -178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.24 -3.85 84.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.686 -0.768 . . . . 0.0 113.464 -178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.8 t -93.19 126.03 38.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.093 0.473 . . . . 0.0 111.058 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -79.11 -42.03 27.24 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.62 179.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 95.46 -0.05 63.21 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.915 -0.66 . . . . 0.0 113.559 178.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.26 68.27 4.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 117.228 0.514 . . . . 0.0 110.793 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 166.7 -163.37 36.96 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.937 -0.649 . . . . 0.0 112.072 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -167.35 141.94 3.82 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.609 HD11 ' HA ' ' A' ' 37' ' ' PRO . 43.8 mm -62.08 -47.41 93.27 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.877 0.37 . . . . 0.0 111.47 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -21.04 31.24 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.816 0.341 . . . . 0.0 111.374 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.58 22.11 48.32 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.436 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -89.27 -21.78 23.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.189 0.519 . . . . 0.0 110.497 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.541 ' CZ ' ' N4 ' ' C' ' 19' ' ' ' DC' . 13.4 m-85 -113.41 148.5 35.72 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.238 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -92.1 -35.09 14.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.482 0.658 . . . . 0.0 109.298 178.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.0 m -154.42 134.28 12.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.224 -0.898 . . . . 0.0 109.287 178.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 27.6 p-80 -129.98 158.18 40.28 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.857 -0.423 . . . . 0.0 109.857 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -128.8 3.33 5.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.502 0.192 . . . . 0.0 111.021 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 82.2 p -125.8 -175.77 3.44 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.59 ' HA ' ' SG ' ' A' ' 36' ' ' CYS . 38.0 mt -80.86 57.83 3.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.24 0.543 . . . . 0.0 110.826 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.451 ' HB3' ' N4 ' ' C' ' 19' ' ' ' DC' . 0.6 OUTLIER -119.07 79.36 1.39 Allowed 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.074 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.72 51.52 5.46 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.371 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.59 ' SG ' ' HA ' ' A' ' 33' ' ' LEU . 59.6 m -79.74 126.74 79.73 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.403 0.144 . . . . 0.0 111.093 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.609 ' HA ' HD11 ' A' ' 23' ' ' ILE . 24.7 Cg_endo -64.21 -30.4 64.55 Favored 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.529 2.153 . . . . 0.0 111.81 179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -114.88 80.85 1.47 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.71 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.581 -0.723 . . . . 0.0 110.69 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.419 " O5'" ' H8 ' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.581 0 C4'-C3'-C2' 102.325 -0.875 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.954 ' O2 ' ' N2 ' ' C' ' 25' ' ' ' DG' . . . . . . . . 0 P--O3' 1.618 0.908 0 C4'-C3'-C2' 102.412 -0.788 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' C' ' 24' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 N19-C1'-C2' 115.749 0.968 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ' DG' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 C4'-C3'-C2' 102.217 -0.983 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.439 ' C2 ' ' C2 ' ' B' ' 4' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.704 0 C4'-C3'-C2' 102.343 -0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ' DA' . . . . . 0.476 " H1'" " H5'" ' B' ' 7' ' ' ' DA' . . . . . . . . 0 P--O3' 1.618 0.903 0 O4'-C4'-C3' 104.81 -0.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ' DA' . . . . . 0.605 H2'' ' N7 ' ' B' ' 8' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.728 0 C4'-C3'-C2' 102.389 -0.811 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ' DG' . . . . . 0.605 ' N7 ' H2'' ' B' ' 7' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.848 0 O4'-C1'-C2' 107.005 0.823 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.606 " H1'" " H5'" ' B' ' 10' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.866 0 N19-C1'-C2' 115.833 1.021 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ' DT' . . . . . 0.606 " H5'" " H1'" ' B' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C5'-C4'-C3' 116.192 0.995 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C1'-C2' 107.029 0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.617 0.85 0 C4'-C3'-C2' 102.323 -0.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.637 0 O4'-C4'-C3' 104.802 -0.798 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DG' . . . . . 0.666 ' H8 ' HO5' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.432 -0.516 0 O5'-C5'-C4' 111.496 0.926 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.477 ' C5 ' H2'' ' C' ' 14' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.807 0 N19-C1'-C2' 116.423 1.389 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.466 ' C6 ' ' C6 ' ' C' ' 17' ' ' ' DA' . . . . . . . . 0 P--O3' 1.619 0.974 0 O4'-C4'-C3' 104.693 -0.907 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . 0.475 " H1'" " H5'" ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 O4'-C1'-C2' 107.043 0.857 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.475 " H5'" " H1'" ' C' ' 17' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.81 0 C4'-C3'-C2' 102.356 -0.844 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DC' . . . . . 0.541 ' N4 ' ' CZ ' ' A' ' 27' ' ' TYR . . . . . . . . 0 P--O3' 1.616 0.752 0 C4'-C3'-C2' 102.178 -1.022 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.487 " C2'" ' H72' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.875 0 N19-C1'-C2' 116.006 1.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.571 H2'' ' H71' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.818 0 C4'-C3'-C2' 102.337 -0.863 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DT' . . . . . 0.571 ' H71' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C4'-C3'-C2' 102.196 -1.004 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ' DC' . . . . . 0.496 ' OP2' H2'' ' C' ' 22' ' ' ' DT' . . . . . . . . 0 P--O3' 1.617 0.805 0 C4'-C3'-C2' 102.303 -0.897 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' B' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.777 0 C4'-C3'-C2' 102.308 -0.892 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' ' DG' . . . . . 0.954 ' N2 ' ' O2 ' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.789 0 C4'-C3'-C2' 102.361 -0.839 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 O4'-C4'-C3' 104.785 -0.815 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_